William L. Jorgensen
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American chemist
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Chemistry
William L. Jorgensen's Degrees
- PhD Chemistry University of California, Berkeley
Why Is William L. Jorgensen Influential?
(Suggest an Edit or Addition)According to Wikipedia, William L. Jorgensen is a Sterling Professor of Chemistry at Yale University. He is considered a pioneer in the field of computational chemistry. Some of his contributions include the TIP3P, TIP4P, and TIP5P water models, the OPLS force field, and his work on free-energy perturbation theory for modeling reactions in solution, protein-ligand binding, and drug design; he has over 400 publications in the field. Jorgensen has been the Editor of the ACS Journal of Chemical Theory and Computation since its founding in 2005.
William L. Jorgensen's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Comparison of simple potential functions for simulating liquid water (1983) (29979)
- Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids (1996) (10658)
- The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin. (1988) (3882)
- Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides† (2001) (3302)
- OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins. (2016) (1954)
- A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions (2000) (1879)
- Optimized intermolecular potential functions for liquid hydrocarbons (1984) (1742)
- Supramolecular chemistry. (1993) (1299)
- The Many Roles of Computation in Drug Discovery (2004) (1258)
- Quantum and statistical mechanical studies of liquids. 10. Transferable intermolecular potential functions for water, alcohols, and ethers. Application to liquid water (2002) (996)
- Potential energy functions for atomic-level simulations of water and organic and biomolecular systems. (2005) (893)
- Aromatic-aromatic interactions: free energy profiles for the benzene dimer in water, chloroform, and liquid benzene (1990) (842)
- Optimized intermolecular potential functions for liquid alcohols (1986) (831)
- Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field. (2015) (769)
- Performance of B3LYP Density Functional Methods for a Large Set of Organic Molecules. (2008) (734)
- Journal of Chemical Information and Modeling (2005) (655)
- Temperature and size dependence for Monte Carlo simulations of TIP4P water (1985) (643)
- Prediction of drug solubility from structure. (2002) (588)
- Monte Carlo simulation of differences in free energies of hydration (1985) (557)
- LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands (2017) (539)
- OPLS all‐atom force field for carbohydrates (1997) (528)
- Free energy calculations: a breakthrough for modeling organic chemistry in solution (1989) (488)
- OPLS ALL-ATOM MODEL FOR AMINES : RESOLUTION OF THE AMINE HYDRATION PROBLEM (1999) (487)
- Improved Peptide and Protein Torsional Energetics with the OPLS-AA Force Field (2015) (484)
- Energy component analysis for dilute aqueous solutions of lithium(1+), sodium(1+), fluoride(1-), and chloride(1-) ions (1984) (482)
- Efficient drug lead discovery and optimization. (2009) (456)
- OPLS potential functions for nucleotide bases. Relative association constants of hydrogen-bonded base pairs in chloroform (1991) (453)
- Revised TIPS for simulations of liquid water and aqueous solutions (1982) (450)
- Importance of secondary interactions in triply hydrogen bonded complexes: guanine-cytosine vs uracil-2,6-diaminopyridine (1990) (426)
- Prediction of Properties from Simulations: Free Energies of Solvation in Hexadecane, Octanol, and Water (2000) (403)
- Relative partition coefficients for organic solutes from fluid simulations (1990) (382)
- Gas‐phase and liquid‐state properties of esters, nitriles, and nitro compounds with the OPLS‐AA force field (2001) (376)
- The Organic Chemist's Book of Orbitals (1973) (373)
- Temperature dependence of TIP3P, SPC, and TIP4P water from NPT Monte Carlo simulations: Seeking temperatures of maximum density (1998) (355)
- Molecular modeling of organic and biomolecular systems using BOSS and MCPRO (2005) (331)
- Perfluoroalkanes: Conformational Analysis and Liquid-State Properties from ab Initio and Monte Carlo Calculations (2001) (327)
- Optimized intermolecular potential functions for amides and peptides. Structure and properties of liquid amides (1985) (317)
- Halide, Ammonium, and Alkali Metal Ion Parameters for Modeling Aqueous Solutions. (2006) (309)
- Targeting the von Hippel–Lindau E3 Ubiquitin Ligase Using Small Molecules To Disrupt the VHL/HIF-1α Interaction (2012) (309)
- Quantum and statistical mechanical studies of liquids. 25. Solvation and conformation of methanol in water (1983) (305)
- Diffusion constant of the TIP5P model of liquid water (2001) (303)
- Theoretical examination of the SN2 reaction involving chloride ion and methyl chloride in the gas phase and aqueous solution (1985) (286)
- Prediction of drug solubility from Monte Carlo simulations. (2000) (283)
- Ab Initio Study Of Hydrogen-Bonded Complexes Of Small Organic Molecules With Water (1998) (277)
- Methyl effects on protein-ligand binding. (2012) (270)
- 1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase Simulations. (2017) (264)
- Development of an All-Atom Force Field for Heterocycles. Properties of Liquid Pyrrole, Furan, Diazoles, and Oxazoles (1998) (256)
- Free Energies of Hydration and Pure Liquid Properties of Hydrocarbons from the OPLS All-Atom Model (1994) (251)
- Efficient computation of absolute free energies of binding by computer simulations. Application to the methane dimer in water (1988) (249)
- Perspective on Free-Energy Perturbation Calculations for Chemical Equilibria. (2008) (247)
- Development of an all-atom force field for heterocycles. Properties of liquid pyridine and diazenes (1998) (243)
- PDDG/PM3 and PDDG/MNDO: Improved semiempirical methods (2002) (242)
- Monte Carlo simulations of the hydration of ammonium and carboxylate ions (1986) (230)
- Developing a dynamic pharmacophore model for HIV-1 integrase. (2000) (228)
- Treatment of Halogen Bonding in the OPLS-AA Force Field; Application to Potent Anti-HIV Agents. (2012) (223)
- PERFORMANCE OF THE AMBER94, MMFF94, AND OPLS-AA FORCE FIELDS FOR MODELING ORGANIC LIQUIDS (1996) (216)
- AN EXTENDED LINEAR RESPONSE METHOD FOR DETERMINING FREE ENERGIES OF HYDRATION (1995) (215)
- Energetics of displacing water molecules from protein binding sites: consequences for ligand optimization. (2009) (215)
- Contribution of conformer focusing to the uncertainty in predicting free energies for protein-ligand binding. (2006) (210)
- Rusting of the lock and key model for protein-ligand binding. (1991) (207)
- SN2 reaction profiles in the gas phase and aqueous solution (1984) (205)
- Discovery of a potent, selective, and efficacious class of reversible alpha-ketoheterocycle inhibitors of fatty acid amide hydrolase effective as analgesics. (2005) (203)
- Advances in quantum and molecular mechanical (QM/MM) simulations for organic and enzymatic reactions. (2010) (202)
- Molecular dynamics simulations of the unfolding of an alpha-helical analogue of ribonuclease A S-peptide in water. (1991) (180)
- Magnitude and origin of the .beta.-silicon effect on carbenium ions (1985) (178)
- Additions and Corrections - Optimized Intermolecular Potential Functions for Amides and Peptides. Hydration of Amides. (1985) (177)
- Prediction of the water content in protein binding sites. (2009) (177)
- Small-molecule inhibitors of the interaction between the E3 ligase VHL and HIF1α. (2012) (175)
- Free Energies of Hydration from a Generalized Born Model and an All-Atom Force Field (2004) (174)
- Theoretical studies of medium effects on conformational equilibria (1983) (172)
- Monte Carlo simulations of liquid acetonitrile with a three-site model (1988) (171)
- Elucidation of fatty acid amide hydrolase inhibition by potent alpha-ketoheterocycle derivatives from Monte Carlo simulations. (2005) (160)
- Cis-trans energy difference for the peptide bond in the gas phase and in aqueous solution (1988) (159)
- The many faces of halogen bonding: a review of theoretical models and methods (2014) (159)
- Solvent effects on a Diels-Alder reaction from computer simulations (1991) (153)
- Binding affinities for sulfonamide inhibitors with human thrombin using Monte Carlo simulations with a linear response method. (1997) (148)
- Monte Carlo simulations of alkanes in water: hydration numbers and the hydrophobic effect (1985) (147)
- Quantum and statistical mechanical studies of liquids. 7. Structure and properties of liquid methanol (1980) (145)
- Molecular dynamics simulations of the unfolding of barnase in water and 8 M aqueous urea. (1997) (145)
- Monte Carlo vs Molecular Dynamics for Conformational Sampling (1996) (141)
- Free energy of TIP4P water and the free energies of hydration of CH4 and Cl- from statistical perturbation theory (1989) (141)
- Ab initio and Monte Carlo calculations for a nucleophilic addition reaction in the gas phase and in aqueous solution (1986) (140)
- Monte Carlo simulations of pure liquid substituted benzenes with OPLS potential functions (1993) (140)
- Quantum and statistical mechanical studies of liquids. 3. Deriving intermolecular potential functions for the water dimer from ab initio calculations (1979) (138)
- Structure and basicity of silyl ethers: a crystallographic and ab initio inquiry into the nature of silicon-oxygen interactions (1990) (137)
- QM/MM Simulations for Diels−Alder Reactions in Water: Contribution of Enhanced Hydrogen Bonding at the Transition State to the Solvent Effect† (2002) (135)
- Monte Carlo simulations of the hydration of substituted benzenes with OPLS potential functions (1993) (132)
- Steric retardation of SN2 reactions in the gas phase and solution. (2004) (129)
- A remote arene-binding site on prostate specific membrane antigen revealed by antibody-recruiting small molecules. (2010) (128)
- Energy profile for a nonconcerted SN2 reaction in solution (1985) (127)
- Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations (2021) (126)
- Do denaturants interact with aromatic hydrocarbons in water (1993) (126)
- Effects of hydration on the Claisen rearrangement of allyl vinyl ether from computer simulations (1992) (123)
- Monte Carlo simulations of liquid acetic acid and methyl acetate with the OPLS potential functions (1991) (121)
- Ab initio study of Diels-Alder reactions of cyclopentadiene with ethylene, isoprene, cyclopentadiene, acrylonitrile, and methyl vinyl ketone (1993) (118)
- Discovery of human macrophage migration inhibitory factor (MIF)-CD74 antagonists via virtual screening. (2009) (118)
- Intermolecular potential functions and Monte Carlo simulations for liquid sulfur compounds (1986) (117)
- Computer-aided design of non-nucleoside inhibitors of HIV-1 reverse transcriptase. (2006) (113)
- Computational approaches to molecular recognition. (1997) (113)
- Comparison of SCC-DFTB and NDDO-based semiempirical molecular orbital methods for organic molecules. (2006) (112)
- Computationally-guided optimization of a docking hit to yield catechol diethers as potent anti-HIV agents. (2011) (109)
- Molecular dynamics simulations of the unfolding of apomyoglobin in water. (1993) (108)
- Accuracy of free energies of hydration for organic molecules from 6‐31g*‐derived partial charges (1993) (107)
- CAMEO: a program for the logical prediction of the products of organic reactions (1990) (105)
- Enhanced Hydrogen Bonding of Water to Diels-Alder Transition States. Ab Initio Evidence (1994) (105)
- Analysis of Binding Affinities for Celecoxib Analogues with COX-1 and COX-2 from Combined Docking and Monte Carlo Simulations and Insight into the COX-2/COX-1 Selectivity (2000) (104)
- Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning (2016) (104)
- Accuracy of free energies of hydration using CM1 and CM3 atomic charges (2004) (101)
- Ab initio study of structures and binding energies for anion-water complexes (1986) (101)
- Monte Carlo simulations of liquid alkyl ethers with the OPLS potential functions (1990) (100)
- Special Issue on Polarization. (2007) (99)
- A priori pKa calculations and the hydration of organic anions (1989) (98)
- Monte Carlo simulation of n‐butane in water. Conformational evidence for the hydrophobic effect (1982) (98)
- Energetics and hydration of the constituent ion pairs of tetramethylammonium chloride (1989) (98)
- Transferable intermolecular potential functions. Application to liquid methanol including internal rotation (1981) (97)
- Chemical control over immune recognition: a class of antibody-recruiting small molecules that target prostate cancer. (2009) (97)
- Ab initio investigations of the .beta.-silicon effect on alkyl and cyclopropyl carbenium ions and radicals (1989) (94)
- Network topology in simulated water (1987) (94)
- Quantum, intramolecular flexibility, and polarizability effects on the reproduction of the density anomaly of liquid water by simple potential functions (2001) (93)
- Solvent effects on the barrier to isomerization for a tertiary amide from ab initio and Monte Carlo calculations (1992) (91)
- Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2 (2020) (91)
- Substituent effects and transition structures for Diels-Alder reactions of butadiene and cyclopentadiene with cyanoalkenes (1989) (89)
- Macrophomate synthase: QM/MM simulations address the Diels-Alder versus Michael-Aldol reaction mechanism. (2005) (89)
- Computational Investigations of Carbenium Ion Reactions Relevant to Sterol Biosynthesis (1997) (88)
- The nature of dilute solutions of sodium ion in water, methanol, and tetrahydrofuran (1982) (87)
- Why urea eliminates ammonia rather than hydrolyzes in aqueous solution. (2007) (85)
- Estimation of binding affinities for HEPT and nevirapine analogues with HIV-1 reverse transcriptase via Monte Carlo simulations. (2001) (84)
- An improved intermolecular potential function for simulations of liquid hydrogen fluoride (1984) (83)
- Computer-assisted mechanistic evaluation of organic reactions. 1. Overview (1980) (83)
- Monte Carlo Simulations for Proteins: Binding Affinities for Trypsin−Benzamidine Complexes via Free-Energy Perturbations (1997) (82)
- Catalytic mechanism and performance of computationally designed enzymes for Kemp elimination. (2008) (81)
- A priori calculations of pKa's for organic compounds in water. The pKa of ethane (1987) (81)
- Ab initio study of acid-base interactions. Proton, lithium, and sodium affinities of first-and second-row bases (1982) (81)
- Hydration and energetics for tert-butyl chloride ion pairs in aqueous solution (1987) (81)
- Monte Carlo backbone sampling for polypeptides with variable bond angles and dihedral angles using concerted rotations and a Gaussian bias (2003) (80)
- Optimization of azoles as anti-human immunodeficiency virus agents guided by free-energy calculations. (2008) (79)
- Characterization of Biaryl Torsional Energetics and its Treatment in OPLS All-Atom Force Fields (2013) (78)
- FEP-guided selection of bicyclic heterocycles in lead optimization for non-nucleoside inhibitors of HIV-1 reverse transcriptase. (2006) (77)
- Prediction of binding affinities for TIBO inhibitors of HIV-1 reverse transcriptase using Monte Carlo simulations in a linear response method. (1998) (77)
- Conformation of alkanes in the gas phase and pure liquids. (2006) (75)
- Solvent effects and mechanism for a nucleophilic aromatic substitution from QM/MM simulations. (2004) (75)
- Free energies of solvation in chloroform and water from a linear response approach (1997) (75)
- Effects of Water Placement on Predictions of Binding Affinities for p38α MAP Kinase Inhibitors. (2010) (74)
- Relationship between side chain structure and 14-helix stability of beta3-peptides in water. (2005) (74)
- Urea: Potential Functions, log P, and Free Energy of Hydration (1993) (73)
- Electronic origins and consequences of pyramidalization of asymmetric alkenes in ground and triplet excited states (1983) (71)
- Efficient Drug Lead Discovery and Optimization (2009) (71)
- Elucidation of hydrolysis mechanisms for fatty acid amide hydrolase and its Lys142Ala variant via QM/MM simulations. (2006) (71)
- Molecular dynamics of proteins with the OPLS potential functions. Simulation of the third domain of silver pheasant ovomucoid in water (1990) (70)
- Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2 (2020) (70)
- Interactions between amides in solution and the thermodynamics of weak binding (1989) (70)
- Picomolar inhibitors of HIV reverse transcriptase featuring bicyclic replacement of a cyanovinylphenyl group. (2013) (69)
- Estimation of the binding affinities of FKBP12 inhibitors using a linear response method. (1999) (69)
- Structure and properties of liquid ammonia (1980) (68)
- Molecular dynamics and Monte Carlo simulations favor the .alpha.-helical form for alanine-based peptides in water (1993) (68)
- Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase Using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring (2007) (67)
- Limited effects of polarization for Cl−(H2O)n and Na+(H2O)n clusters (1993) (67)
- Structures and properties of organic liquids: n-butane and 1,2-dichloroethane and their conformation equilibriums (1981) (66)
- Prediction of activity for nonnucleoside inhibitors with HIV-1 reverse transcriptase based on Monte Carlo simulations. (2002) (66)
- Understanding Rate Accelerations for Diels-Alder Reactions in Solution Using Enhanced QM/MM Methodology. (2007) (66)
- Efficient discovery of potent anti-HIV agents targeting the Tyr181Cys variant of HIV reverse transcriptase. (2011) (65)
- Elucidation of Rate Variations for a Diels-Alder Reaction in Ionic Liquids from QM/MM Simulations. (2007) (64)
- Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens (2004) (64)
- Polarization Effects for Hydrogen-Bonded Complexes of Substituted Phenols with Water and Chloride Ion. (2007) (64)
- A Quantum Mechanical and Molecular Mechanical Method Based on CM1A Charges: Applications to Solvent Effects on Organic Equilibria and Reactions (1998) (64)
- Optimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage migration inhibitory factor (MIF). (2010) (63)
- Validation of a model for the complex of HIV-1 reverse transcriptase with nonnucleoside inhibitor TMC125. (2003) (62)
- Chemical Chameleons: Hydrogen Bonding with Imides and Lactams in Chloroform. (1991) (62)
- Quantum and statistical mechanical studies of liquids. 12. Simulation of liquid ethanol including internal rotation (1981) (61)
- Steric and solvation effects in ionic S(N)2 reactions. (2009) (61)
- A comprehensive study of the rotational energy profiles of organic systems by ab initio MO theory, forming a basis for peptide torsional parameters (1995) (59)
- From docking false-positive to active anti-HIV agent. (2007) (58)
- Exploring Adsorption of Water and Ions on Carbon Surfaces using a Polarizable Force Field. (2013) (58)
- Basis set dependence of the structure and properties of liquid hydrogen fluoride (1979) (58)
- Dielectric constants of formamide and dimethylformamide via computer simulation (1995) (58)
- In Silico Improvement of beta3-peptide inhibitors of p53 x hDM2 and p53 x hDMX. (2009) (58)
- Use of statistical perturbation theory for computing solvent effects on molecular conformation: butane in water (1987) (57)
- Polypeptide folding using Monte Carlo sampling, concerted rotation, and continuum solvation. (2004) (57)
- Contributions of conformational compression and preferential transition state stabilization to the rate enhancement by chorismate mutase. (2003) (56)
- Energy component analysis for dilute aqueous solutions of Li+, Na+F−, and Cl− ions (1984) (55)
- Discovery of novel fibroblast growth factor receptor 1 kinase inhibitors by structure-based virtual screening. (2010) (55)
- Investigation of solvent effects on pericyclic reactions by computer simulations (1994) (55)
- Challenges for academic drug discovery. (2012) (54)
- Cope elimination: elucidation of solvent effects from QM/MM simulations. (2006) (54)
- Extension of the PDDG/PM3 Semiempirical Molecular Orbital Method to Sulfur, Silicon, and Phosphorus. (2005) (54)
- ELUCIDATION OF TRANSITION STRUCTURES AND SOLVENT EFFECTS FOR EPOXIDATION BY DIMETHYLDIOXIRANE (1997) (54)
- Limiting Cardiac Ischemic Injury by Pharmacological Augmentation of Macrophage Migration Inhibitory Factor–AMP-Activated Protein Kinase Signal Transduction (2013) (54)
- Host–guest chemistry of rotaxanes and catenanes: application of a polarizable all-atom force field to cyclobis(paraquat-p-phenylene) complexes with disubstituted benzenes and biphenyls† (1999) (54)
- Evaluation of CM5 Charges for Condensed-Phase Modeling (2014) (53)
- Design, synthesis, and protein crystallography of biaryltriazoles as potent tautomerase inhibitors of macrophage migration inhibitory factor. (2015) (52)
- Monte Carlo Investigations of Selective Anion Complexation by a Bis(phenylurea) p-tert-Butylcalix[4]arene (1998) (52)
- Theoretical examination of hexanol-water interfaces (1988) (52)
- Quantum mechanical/molecular mechanical modeling finds Diels-Alder reactions are accelerated less on the surface of water than in water. (2010) (51)
- Exploiting structural analysis, in silico screening, and serendipity to identify novel inhibitors of drug-resistant falciparum malaria. (2009) (51)
- An empirical boundary potential for water droplet simulations (1995) (51)
- Ab initio study of the SN2 reactions of hydroxide and hydroperoxide with chloromethane (1987) (51)
- Exploring solvent effects upon the Menshutkin reaction using a polarizable force field. (2010) (50)
- Computer-aided discovery of anti-HIV agents. (2016) (50)
- Illustrating Concepts in Physical Organic Chemistry with 3D Printed Orbitals (2015) (49)
- Receptor agonists of macrophage migration inhibitory factor. (2010) (49)
- Computer-assisted mechanistic evaluation of organic reactions. 17. Free-radical chain reactions (1990) (48)
- Quantum and statistical mechanical studies of liquids. 2. Monte-Carlo simulations of liquid hydrogen fluoride (1978) (48)
- Role of Macrophage Migration Inhibitory Factor in the Regulatory T Cell Response of Tumor-Bearing Mice (2012) (46)
- Pressure dependence of the structure and properties of liquid n-butane (1981) (46)
- Crystal structures of HIV-1 reverse transcriptase with picomolar inhibitors reveal key interactions for drug design. (2012) (45)
- Monte carlo results for hydrogen bond distributions in liquid water (1980) (45)
- Convergence of Monte Carlo simulations of liquid water in the NPT ensemble (1982) (45)
- Validation of a Model for the Complex of HIV-1 Reverse Transcriptase with Sustiva through Computation of Resistance Profiles (2000) (45)
- Optimization of pyrimidinyl- and triazinyl-amines as non-nucleoside inhibitors of HIV-1 reverse transcriptase. (2006) (45)
- Automated Ligand- and Structure-Based Protocol for in Silico Prediction of Human Serum Albumin Binding (2013) (44)
- Evaluation of CM5 Charges for Nonaqueous Condensed-Phase Modeling. (2015) (44)
- Importance of Polarization for Dipolar Solutes in Low-Dielectric Media: 1,2-Dichloroethane and Water in Cyclohexane (1995) (44)
- Quantum and statistical studies of liquids. 1. An intermolecular potential function for the hydrogen fluoride dimer from ab initio 6-31G computations (1978) (43)
- Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants (2015) (43)
- Structures and properties of organic liquids: n-alkyl ethers and their conformational equilibriums (1981) (43)
- Drug discovery: Pulled from a protein's embrace (2010) (42)
- Pressure dependence of hydrogen bonding in liquid methanol (1982) (42)
- Solvation and conformation of methanol in water (1983) (42)
- Comparison of 6‐31G*‐based MST/SCRF and FEP evaluations of the free energies of hydration for small neutral molecules (1993) (42)
- Conformational Complexity of Succinic Acid and Its Monoanion in the Gas Phase and in Solution: Ab Initio Calculations and Monte Carlo Simulations (1998) (42)
- General model for estimation of the inhibition of protein kinases using Monte Carlo simulations. (2004) (42)
- Ab initio study of the displacement reactions of chloride ion with formyl and acetyl chloride (1987) (41)
- Optical rotatory dispersion of 2,3-hexadiene and 2,3-pentadiene. (2008) (40)
- Quantum and statistical mechanical studies of liquids. 21. The nature of dilute solutions of sodium and methoxide ions in methanol (1982) (40)
- Influence of inter- and intramolecular hydrogen bonding on kemp decarboxylations from QM/MM simulations. (2005) (39)
- Chemical consequences of orbital interactions in hydrocarbons containing unsaturativety bridged small rings (1973) (39)
- Development and Testing of the OPLS-AA/M Force Field for RNA. (2019) (38)
- Monte Carlo simulations of liquid tetrahydrofuran including pseudorotation (1982) (38)
- Sampling methods for Monte Carlo simulations of n‐butane in dilute solution (1981) (38)
- Optimization of diarylamines as non-nucleoside inhibitors of HIV-1 reverse transcriptase. (2006) (38)
- Discovery of Wild-Type and Y181C Mutant Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors Using Virtual Screening with Multiple Protein Structures (2009) (37)
- Mechanism for the rotamase activity of FK506 binding protein from molecular dynamics simulations. (1993) (37)
- Enhanced Monte Carlo Sampling through Replica Exchange with Solute Tempering (2014) (37)
- Perspective on “Equation of state calculations by fast computing machines” (2000) (37)
- Free Energies of Hydration for Organic Molecules from Monte Carlo Simulations (1995) (37)
- Improving MM-GB/SA Scoring through the Application of the Variable Dielectric Model. (2011) (37)
- Energy Difference between the Classical and the Nonclassical 2-Norbornyl Cation in Solution. A Combined ab Initio-Monte Carlo Aqueous Solution Study (1995) (36)
- Molecular dynamics and Monte Carlo simulations for protein-ligand binding and inhibitor design. (2015) (36)
- Small molecular modulation of macrophage migration inhibitory factor in the hyperoxia-induced mouse model of bronchopulmonary dysplasia (2013) (36)
- Monte Carlo Investigations of Solvent Effects on the Chorismate to Prephenate Rearrangement (1996) (35)
- Fluoranthene: synthesis and mutagenicity of four diol epoxides (1982) (35)
- Solvent Effects on the Ring Opening of Cyclopropanones to Oxyallyls: A Combined ab Initio and Monte Carlo Study (1994) (35)
- Effect of hydration on the structure of an SN2 transition state (1986) (35)
- Computer-assisted mechanistic evaluation of organic reactions. 20. Ene and retro-ene chemistry (1992) (35)
- Computer-assisted synthetic analysis. Synthetic strategies based on appendages and the use of reconnective transforms (1976) (34)
- Origin of the strong binding of adenine to a molecular tweezer (1990) (34)
- Computer simulation of chemical and biomolecular systems. (1987) (34)
- Chemical consequences of orbital interactions. II. Ethylene and butadiene bridged polycyclic hydrocarbons containing three- and four-membered rings (1975) (34)
- An intermolecular potential function for the methanol dimer from ab initio calculations (1979) (33)
- Estimation of binding affinities for selective thrombin inhibitors via Monte Carlo simulations. (2001) (33)
- OPLS Force Fields (2002) (33)
- Structural and energetic predictions for simple hydrocarbons from the NDDO [neglect of diatomic differential overlap] and CNDO [complete neglect of differential overlap] semiempirical molecular orbital methods (1970) (33)
- Polarized Protein-Specific Charges from Atoms-in-Molecule Electron Density Partitioning (2013) (33)
- Homoaromaticity and bicycloaromaticity in carbanions (1981) (33)
- Molecular modeling calculations of HIV-1 reverse transcriptase nonnucleoside inhibitors: correlation of binding energy with biological activity for novel 2-aryl-substituted benzimidazole analogues. (2003) (33)
- QSAR/QSPR and Proprietary Data (2006) (33)
- Advances and Insights for Small Molecule Inhibition of Macrophage Migration Inhibitory Factor. (2018) (32)
- Foundations of Biomolecular Modeling (2013) (32)
- Investigation of solvent effects for the Claisen rearrangement of chorismate to prephenate: mechanistic interpretation via near attack conformations. (2003) (32)
- Eastern extension of azoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase; cyano group alternatives. (2010) (32)
- Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography (2017) (32)
- Antiviral drug design: computational analyses of the effects of the L100I mutation for HIV-RT on the binding of NNRTIs. (2001) (32)
- Computation of Accurate Activation Barriers for Methyl-Transfer Reactions of Sulfonium and Ammonium Salts in Aqueous Solution. (2007) (31)
- Monte Carlo calculations on HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor 8-Cl TIBO: contribution of the L100I and Y181C variants to protein stability and biological activity. (2000) (31)
- CHEMICAL CONSEQUENCES OF ORBITAL INTERACTIONS. 3. ENERGETIC IMPACT OF MONOHOMOAROMATICITY (1976) (31)
- Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders. (2017) (31)
- Endothelial CD74 mediates macrophage migration inhibitory factor protection in hyperoxic lung injury (2015) (31)
- SELF-ASSEMBLING TERNARY COMPLEX STABILITIES AND TEMPLATE RATIOS IN CARCEPLEX FORMATION (1997) (31)
- Virtual screening and optimization yield low-nanomolar inhibitors of the tautomerase activity of Plasmodium falciparum macrophage migration inhibitory factor. (2012) (30)
- Estimation of binding affinities for celecoxib analogues with COX-2 via Monte Carlo-extended linear response. (2002) (30)
- From in silico hit to long-acting late-stage preclinical candidate to combat HIV-1 infection (2017) (30)
- Extension into the entrance channel of HIV-1 reverse transcriptase--crystallography and enhanced solubility. (2013) (30)
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- Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-cyanobenzoic acid. (2019) (0)
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- Human glutamate carboxypeptidase II in complex with Antibody- Recruiting Molecule ARM-P2 (2010) (0)
- Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-5,8-dimethyl-2-naphthonitrile (JLJ658), a Non-nucleoside Inhibitor (2020) (0)
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- Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-D-glutamic acid (2019) (0)
- CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 23 (2021) (0)
- Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ651), a Non-nucleoside Inhibitor (2020) (0)
- Macrophage Migration Inhibitory Factor bound to Covalent Inhibitor RDR03785 (2016) (0)
- Computational methods in Chemistry, J. Bargon, Ed., Plenum, New York, 1980, 335 pp. (1981) (0)
- Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with methyl 2-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acetate (JLJ681), a Non-nucleoside Inhibitor (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-carbamoylbenzoic acid. (2019) (0)
- SIMPLE PREDICTION OF SUBSTITUENT SENSITIVITY (ϱ+) FOR CARBOCATIONS (1977) (0)
- Synthesis and Investigations of Enetetraynes. (2010) (0)
- Human glutamate carboxypeptidase II in complex with Antibody- Recruiting Molecule ARM-P8 (2010) (0)
- JAK2 JH2 in complex with JAK146 (2020) (0)
- CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 14 (2021) (0)
- BRUCEANTIN SUPPORT STUDIES. 7. TORSIONAL EFFECTS IN THE BAEYER-VILLIGER OXIDATION (1984) (0)
- III – Three-Dimensional Molecular Orbitals (1973) (0)
- Monte Carlo simulations of the hydration of ammonium and carboxylate ions [Erratum to document cited in CA104(22):194099Y] (1988) (0)
- Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP, MTX and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-D-glutamic acid (2014) (0)
- Crystal structure of human thymidylate synthase delta(7-29) in complex with dUMP and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid (2019) (0)
- Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-(2-cyanovinyl)-5-fluorophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ710) (2021) (0)
- Challenges for Academic Drug Discovery (2013) (0)
- Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ649), a Non-nucleoside Inhibitor (2020) (0)
- JAK2 JH2 in complex with JAK170 (2020) (0)
- Computer-Assisted Mechanistic Evaluations of Organic Reactions. Part 12. pKa Predictions for Organic Compounds in Me2SO. (1987) (0)
- CHEMICAL CONSEQUENCES OF ORBITAL INTERACTIONS PART 2, ETHYLENE AND BUTADIENE BRIDGED POLYCYCLIC HYDROCARBONS CONTAINING THREE- AND FOUR-MEMBERED RINGS (1975) (0)
- SOINENl' EFF:EL"TS W '!HE DlE(S-AI.DER REACl'IW OF MEIHYL VINYL :KE:Iam AND CYcrDPENI2\DIEm: FK:M CXMIUmR SDlJIATICH; (1993) (0)
- Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-chloro-5-(2-cyanovinyl)phenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ709) (2021) (0)
- A Reflection on Norman Louis Allinger. (2021) (0)
- Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-7-fluoro-2-naphthonitrile (JLJ635), a Non-nucleoside Inhibitor (2019) (0)
- Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxyphenyl)acetic acid (2019) (0)
- CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 26 (2021) (0)
- Abstract 15835: Limiting Cardiac Ischemic Injury by Augmenting the MIF-AMPK Signaling Cascade with a Novel Class of MIF Receptor Agonists (2010) (0)
- Foreword (2002) (0)
- Drug Discovery Accelerated by Computational Methods (2013) (0)
- Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(cyclopropylmethyl)-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ678), a Non-nucleoside Inhibitor (2020) (0)
- Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chlorobenzoic acid (2019) (0)
- CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 21 (2021) (0)
- Additions and Corrections - Chemical Consequences of Orbital Interactions. II. Ethylene and Butadiene Bridged Polycyclic Hydrocarbons Containing Three- and Four-Membered Rings. (1975) (0)
- pVHL-ELOB-ELOC complex_(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide bound (2012) (0)
- CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 15 (2021) (0)
- CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 5 (2021) (0)
- Improved QM Methods and Their Application in QM/MM Studies of Enzymatic Reactions (2007) (0)
- Macrophage Migration Inhibitory Factor in complex with a biaryltriazole inhibitor (3b-180) (2015) (0)
- Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxybenzoic acid. (2019) (0)
- Water in protein binding sites: Consequences for ligand optimization (2010) (0)
- CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 25 (2021) (0)
- Computer-Assisted Evaluation of Oxidation Reactions. (1989) (0)
- CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 11 (2021) (0)
- A General Treatment of Nucleophilic Chemistry. (1988) (0)
- Computer-Assisted Mechanistic Evaluation of Organic Reactions. Part 14. Reactions of Sulfur and Phosphorus Ylides, Iminophosphoranes, and P=X-Activated Anions. (1989) (0)
- Wildtype HIV-1 Reverse Transcriptase in complex with JLJ 578 (2019) (0)
- CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 6 (2021) (0)
- Crystal structure of TS-DHFR from Cryptosporidium hominis with Apo-TS site (2020) (0)
- Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)benzoic acid (2019) (0)
- Crystal structure of minimal kinase domain of fibroblast growth factor receptor 1 in complex with 5-(2-thienyl)nicotinic acid (2010) (0)
- pVHL-EloB-EloB-EloC complex_(2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide bound (2012) (0)
- Computer-Assisted Mechanistic Evaluation of Organic Reactions. Part 15. Heterocycle Synthesis. (1988) (0)
- Crystal Structure of HIV-1 Reverse Transcriptase in Complex with methyl 2-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acetate (JLJ681), a Non-nucleoside Inhibitor (2020) (0)
- Tumor-Bearing Mice Factor in the Regulatory T Cell Response of Role of Macrophage Migration Inhibitory Wan-Uk (2012) (0)
- Models and Technologies Biochemical Assays for the Discovery of TDP 1 Inhibitors (2014) (0)
- Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)terephthalic acid. (2019) (0)
- Macrophage Migration Inhibitory Factor in complex with a biaryltriazole inhibitor (3b-190) (2015) (0)
- CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 29 (2021) (0)
- Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)terephthalic acid (2019) (0)
- Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-cyanophenyl)acetic acid. (2019) (0)
- CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 50 (2021) (0)
- Optimization of Diarylamines as Non‐Nucleoside Inhibitors of HIV‐1 Reverse Transcriptase. (2006) (0)
- JAK2 JH2 in complex with JAK168 (2020) (0)
- Design, synthesis, and biological testing of biphenylmethyloxazole inhibitors targeting HIV-1 reverse transcriptase. (2023) (0)
- Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-((4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)methyl)benzoic acid. (2019) (0)
- Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)propanoic acid. (2019) (0)
- Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chlorobenzoic acid (2019) (0)
- Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ649), a Non-nucleoside Inhibitor (2020) (0)
- JAK2 JH2 in complex with diaminopyrimidine JAK040 (2018) (0)
- Covalent Modification of the JH2 Domain of Janus Kinase 2. (2022) (0)
- Human glutamate carboxypeptidase II in complex with ARM-M4, urea- based inhibitor (2010) (0)
- Front Cover: Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor (ChemMedChem 11/2018) (2018) (0)
- Modeling Molecular Transformations in Solution (1988) (0)
- Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid. (2019) (0)
- Preface (1986) (0)
- IV – Index of References (1973) (0)
- Correction for Kudalkar et al., From in silico hit to long-acting late-stage preclinical candidate to combat HIV-1 infection (2018) (0)
- II – Basic Data Concerning the Orbital Drawings in Chapter III (1973) (0)
- Macrophage Migration Inhibitory Factor bound to Inhibitor K664 Derivative (2016) (0)
- Human glutamate carboxypeptidase II in complex with Antibody- Recruiting Molecule ARM-P4 (2010) (0)
- Computer aided design of novel inhibitors of the p53-hDM2(X) interactions (2009) (0)
- JAK2 JH2 in complex with JAK190 (2020) (0)
- Heat capacity effects associated with the hydrophobic hydration and interaction of simple solutes: A detailed structural and energetical analysis based on molecular dynamics simulations (2004) (0)
- Reply to Pandey et al.: Understanding the efficacy of a potential antiretroviral drug candidate in humanized mouse model of HIV infection (2018) (0)
- Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-((6-cyanonaphthalen-1-yl)oxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ704) (2021) (0)
- Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase Using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring. (2008) (0)
- Structure-reactivity relationships and the computer aided prediction of reaction products (1986) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities—April 2020 (2020) (0)
- Confronting Racism in Chemistry Journals (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities - April 2020 (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities—April 2020 (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Editorial Confronting Racism in Chemistry Journals (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- A Falling Tree (2008) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Functional energy materials 7 (2018) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Confronting Racism in Chemistry Journals (2020) (0)
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