Johan Åqvist
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Why Is Johan Åqvist Influential?
(Suggest an Edit or Addition)According to Wikipedia, Johan Åqvist is a Swedish biochemist and academic. He is a professor of theoretical chemistry in the Department of Cell and Molecular Biology at Uppsala University and a member of the Royal Swedish Academy of Sciences . He also served as chair of the Nobel Committee for Chemistry between 2021 and 2023.
Johan Åqvist'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
- Ion-water interaction potentials derived from free energy perturbation simulations (1990) (1362)
- Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches (1993) (608)
- Ligand binding affinity prediction by linear interaction energy methods (1998) (365)
- Ion permeation mechanism of the potassium channel (2000) (349)
- Electrostatic energy and macromolecular function. (1991) (339)
- Ligand binding affinities from MD simulations. (2002) (310)
- Q: a molecular dynamics program for free energy calculations and empirical valence bond simulations in biomolecular systems. (1998) (280)
- Free energy calculations and ligand binding. (2003) (199)
- Molecular Dynamics Simulations of Water and Biomolecules with a Monte Carlo Constant Pressure Algorithm (2004) (192)
- Mechanism of peptide bond synthesis on the ribosome. (2005) (169)
- The linear interaction energy method for predicting ligand binding free energies. (2001) (164)
- Dipoles localized at helix termini of proteins stabilize charges. (1991) (148)
- Cyclic HIV-1 protease inhibitors derived from mannitol: synthesis, inhibitory potencies, and computational predictions of binding affinities. (1997) (135)
- A molecular dynamics study of the C-terminal fragment of the L7/L12 ribosomal protein. Secondary structure motion in a 150 picosecond trajectory. (1985) (127)
- Binding affinity prediction with different force fields: Examination of the linear interaction energy method (2004) (127)
- pH-sensitivity of the ribosomal peptidyl transfer reaction dependent on the identity of the A-site aminoacyl-tRNA (2010) (125)
- Estimation of binding free energies for HIV proteinase inhibitors by molecular dynamics simulations. (1995) (123)
- Force Field Independent Metal Parameters Using a Nonbonded Dummy Model (2014) (123)
- Absolute and relative entropies from computer simulation with applications to ligand binding. (2005) (121)
- High-resolution structure of a BRICHOS domain and its implications for anti-amyloid chaperone activity on lung surfactant protein C (2012) (118)
- Energetics of ion permeation through membrane channels. Solvation of Na+ by gramicidin A. (1989) (115)
- Mechanistic alternatives in phosphate monoester hydrolysis: what conclusions can be drawn from available experimental data? (1999) (109)
- K(+)/Na(+) selectivity of the KcsA potassium channel from microscopic free energy perturbation calculations. (2001) (106)
- Exploring blocker binding to a homology model of the open hERG K+ channel using docking and molecular dynamics methods (2005) (105)
- Improving the Accuracy of the Linear Interaction Energy Method for Solvation Free Energies. (2007) (103)
- Potent inhibitors of the Plasmodium falciparum enzymes plasmepsin I and II devoid of cathepsin D inhibitory activity. (2004) (95)
- Enzymes work by solvation substitution rather than by desolvation. (1989) (95)
- The catalytic mechanism of protein tyrosine phosphatases revisited (2001) (93)
- Analysis of predictions for the catalytic mechanism of ribosomal peptidyl transfer. (2006) (92)
- Computer simulation of the initial proton transfer step in human carbonic anhydrase I. (1992) (89)
- Resolving the energy paradox of chaperone/usher-mediated fibre assembly. (2005) (88)
- Resolving Apparent Conflicts between Theoretical and Experimental Models of Phosphate Monoester Hydrolysis (2014) (87)
- Cold adaptation of enzyme reaction rates. (2008) (84)
- Combining docking, molecular dynamics and the linear interaction energy method to predict binding modes and affinities for non-nucleoside inhibitors to HIV-1 reverse transcriptase. (2008) (83)
- Linear interaction energy: method and applications in drug design. (2012) (82)
- Structures of Mycobacterium tuberculosis 1-Deoxy-D-xylulose-5-phosphate Reductoisomerase Provide New Insights into Catalysis* (2007) (82)
- Design, synthesis, computational prediction, and biological evaluation of ester soft drugs as inhibitors of dihydrofolate reductase from Pneumocystis carinii. (2001) (81)
- A model for how ribosomal release factors induce peptidyl-tRNA cleavage in termination of protein synthesis. (2007) (80)
- Mechanisms of tetraethylammonium ion block in the KcsA potassium channel (2001) (78)
- Calculation of absolute binding free energies for charged ligands and effects of long‐range electrostatic interactions (1996) (77)
- A computational study of ion binding and protonation states in the KcsA potassium channel. (2000) (75)
- Entropy and Enzyme Catalysis. (2017) (74)
- Calculations of free energy profiles for the staphylococcal nuclease catalyzed reaction. (1989) (71)
- The transition state for peptide bond formation reveals the ribosome as a water trap (2010) (71)
- Computational prediction of structure, substrate binding mode, mechanism, and rate for a malaria protease with a novel type of active site. (2004) (70)
- Principles of stop-codon reading on the ribosome (2010) (69)
- Catalysis and linear free energy relationships in aspartic proteases. (2006) (65)
- Computer Simulation of the Triosephosphate Isomerase Catalyzed Reaction (*) (1996) (64)
- Calculation of Ligand Binding Free Energies from Molecular Dynamics Simulations (1998) (63)
- Enzyme surface rigidity tunes the temperature dependence of catalytic rates (2016) (63)
- Energetics of nucleophile activation in a protein tyrosine phosphatase. (1997) (62)
- Calculations of solute and solvent entropies from molecular dynamics simulations. (2006) (62)
- Computation of enzyme cold adaptation (2017) (61)
- Probing the effect of point mutations at protein-protein interfaces with free energy calculations. (2006) (61)
- Toward a Consensus Model of the hERG Potassium Channel (2010) (60)
- Protein Surface Softness Is the Origin of Enzyme Cold-Adaptation of Trypsin (2014) (60)
- Computational Prediction of Alanine Scanning and Ligand Binding Energetics in G-Protein Coupled Receptors (2014) (58)
- Calculation of absolute binding free energies for charged ligands and effects of long-range electrostatic interactions (1996) (58)
- Electrostatic contributions to binding of transition state analogues can be very different from the corresponding contributions to catalysis: phenolates binding to the oxyanion hole of ketosteroid isomerase. (2007) (58)
- Computation of affinity and selectivity: Binding of 2,4-diaminopteridine and 2,4-diaminoquinazoline inhibitors to dihydrofolate reductases (1998) (56)
- Computational inhibitor design against malaria plasmepsins (2007) (56)
- Computational analysis of binding of P1 variants to trypsin (2001) (55)
- Computational study of the binding affinity and selectivity of the bacterial ammonium transporter AmtB. (2006) (54)
- Computational and NMR study of quaternary ammonium ion conformations in solution (2002) (54)
- Synthesis of malarial plasmepsin inhibitors and prediction of binding modes by molecular dynamics simulations. (2005) (53)
- Continuum solvation models in the linear interaction energy method. (2006) (53)
- Computer simulations of enzymatic reactions: examination of linear free-energy relationships and quantum-mechanical corrections in the initial proton-transfer step of carbonic anhydrase. (1992) (52)
- Ligand binding to the voltage-gated Kv1.5 potassium channel in the open state--docking and computer simulations of a homology model. (2008) (51)
- Surface fractality as a guide for studying protein—protein interactions (1987) (51)
- Enzyme catalysis by entropy without Circe effect (2016) (50)
- Energetics of activation of GTP hydrolysis on the ribosome (2013) (47)
- On the Reactivity of Phosphate Monoester Dianions in Aqueous Solution: Brønsted Linear Free-Energy Relationships Do Not Have an Unique Mechanistic Interpretation (1998) (47)
- Modeling the mechanisms of biological GTP hydrolysis. (2015) (46)
- Structure-based energetics of mRNA decoding on the ribosome. (2014) (45)
- Molecular dynamics simulations of the holo and apo forms of retinol binding protein. Structural and dynamical changes induced by retinol removal. (1986) (45)
- Role of ribosomal protein L27 in peptidyl transfer. (2008) (44)
- Protein autoproteolysis: conformational strain linked to the rate of peptide cleavage by the pH dependence of the N --> O acyl shift reaction. (2009) (44)
- Computer Simulation of the CO2/HCO3- Interconversion Step in Human Carbonic Anhydrase I (1993) (44)
- The catalytic power of ketosteroid isomerase investigated by computer simulation. (2002) (44)
- Computational modelling of inhibitor binding to human thrombin. (2001) (43)
- Structural and Energetic Effects of A2A Adenosine Receptor Mutations on Agonist and Antagonist Binding (2014) (43)
- Comment on “The Mechanism for Activation of GTP Hydrolysis on the Ribosome” (2011) (43)
- The Competing Mechanisms of Phosphate Monoester Dianion Hydrolysis (2016) (43)
- Modelling of ion-ligand interactions in solutions and biomolecules (1992) (43)
- Codon-reading specificities of mitochondrial release factors and translation termination at non-standard stop codons (2013) (42)
- C2-symmetric inhibitors of Plasmodium falciparum plasmepsin II: synthesis and theoretical predictions. (2003) (41)
- Computer simulations of structure-activity relationships for HERG channel blockers. (2011) (40)
- Chemical reaction mechanisms in solution from brute force computational Arrhenius plots (2015) (40)
- Q6: A comprehensive toolkit for empirical valence bond and related free energy calculations (2018) (39)
- Computer modeling of chemical reactions in enzymes and solutions: A. Warshel (John Wiley amd Sons, New York, 1991) (1993) (39)
- Electrostatic effects play a central role in cold adaptation of trypsin (2001) (38)
- A simple way to calculate the axis of an -helix (1986) (38)
- QligFEP: an automated workflow for small molecule free energy calculations in Q (2019) (37)
- Predicting binding modes from free energy calculations. (2008) (37)
- alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases. (2009) (36)
- The Deacylation Step of Acetylcholinesterase: Computer Simulation Studies (2000) (36)
- Energetics of codon-anticodon recognition on the small ribosomal subunit. (2007) (35)
- Computational modeling of enzymatic keto-enol isomerization reactions (2002) (35)
- Binding to and Inhibition of Insulin-Regulated Aminopeptidase by Macrocyclic Disulfides Enhances Spine Density (2016) (34)
- Absolute hydration entropies of alkali metal ions from molecular dynamics simulations. (2009) (34)
- Mechanism of the translation termination reaction on the ribosome. (2009) (33)
- Computational modelling of the open-state Kv 1.5 ion channel block by bupivacaine. (2003) (31)
- Permeation redux: thermodynamics and kinetics of ion movement through potassium channels. (2014) (30)
- The conformation of a catalytic loop is central to GTPase activity on the ribosome. (2015) (29)
- Exceptionally large entropy contributions enable the high rates of GTP hydrolysis on the ribosome (2015) (28)
- Principles of start codon recognition in eukaryotic translation initiation (2016) (27)
- Free energy calculations of A(2A) adenosine receptor mutation effects on agonist binding. (2015) (27)
- Inhibitor binding to the plasmepsin IV aspartic protease from Plasmodium falciparum. (2006) (27)
- Bridging the gap between ribosome structure and biochemistry by mechanistic computations. (2012) (26)
- QresFEP: an automated protocol for the free energy calculation of protein mutations in Q. (2019) (26)
- Active site of epoxide hydrolases revisited: a noncanonical residue in potato StEH1 promotes both formation and breakdown of the alkylenzyme intermediate. (2007) (24)
- Ions and blockers in potassium channels: insights from free energy simulations. (2005) (24)
- Computational prediction of monosaccharide binding free energies to lectins with linear interaction energy models (2012) (24)
- Energetics of the proposed rate‐determining step of the glyoxalase I reaction (1999) (24)
- Structure–activity relationship for extracellular block of K+ channels by tetraalkylammonium ions (2003) (24)
- Computational predictions of binding affinities to dihydrofolate reductase: synthesis and biological evaluation of methotrexate analogues. (2000) (24)
- Structure-Based Design of Potent and Selective Ligands at the Four Adenosine Receptors (2017) (24)
- Corrigendum to “Virtual screening and bioassay study of novel inhibitors for dengue virus mRNA cap (nucleoside-2′O)-methyltransferase” [Bioorg. Med. Chem. 15 (2007) 7795–7802] (2008) (24)
- Aryl Sulfonamide Inhibitors of Insulin-Regulated Aminopeptidase Enhance Spine Density in Primary Hippocampal Neuron Cultures. (2016) (23)
- Elucidation of the Binding Mode of the Carboxyterminal Region of Peptide YY to the Human Y2 Receptor (2018) (22)
- Design, synthesis, and computational affinity prediction of ester soft drugs as inhibitors of dihydrofolate reductase from Pneumocystis carinii. (2004) (22)
- The GPR139 reference agonists 1a and 7c, and tryptophan and phenylalanine share a common binding site (2017) (22)
- Conserved Motifs in Different Classes of GTPases Dictate their Specific Modes of Catalysis (2016) (22)
- Mutagenesis and computational modeling of human G-protein-coupled receptor Y2 for neuropeptide Y and peptide YY. (2013) (22)
- Computational analysis of plasmepsin IV bound to an allophenylnorstatine inhibitor (2006) (22)
- Computer simulations explain the anomalous temperature optimum in a cold-adapted enzyme (2020) (22)
- Why base tautomerization does not cause errors in mRNA decoding on the ribosome (2014) (22)
- A Role for the 2' OH of peptidyl-tRNA substrate in peptide release on the ribosome revealed through RF-mediated rescue. (2012) (21)
- Computer Simulation of Phenyl Ester Cleavage by β-Cyclodextrin in Solution (1998) (21)
- Toward an Optimal Docking and Free Energy Calculation Scheme in Ligand Design with Application to COX-1 Inhibitors (2014) (20)
- Cold Adaptation of Triosephosphate Isomerase. (2017) (20)
- Binding site preorganization and ligand discrimination in the purine riboswitch. (2015) (19)
- Free energy calculations show that acidic P1 variants undergo large pKa shifts upon binding to trypsin (2006) (19)
- Metal Ions in Biological Systems. Volume 30: Metalloenzymes Involving Amino Acid-Residue and Related Radicals.Helmut Sigel , Astrid Sigel (1995) (19)
- Computational modeling of the rate limiting step in low molecular weight protein tyrosine phosphatase (1999) (19)
- X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists† (2019) (18)
- Molecular Mechanisms in the Selectivity of Nonsteroidal Anti-Inflammatory Drugs. (2018) (17)
- Molecular dynamics simulation of the solution structure of the C‐terminal fragment of L7/L12 ribosomal protein (1990) (17)
- Complementary charge-based interaction between the ribosomal-stalk protein L7/12 and IF2 is the key to rapid subunit association (2018) (16)
- Structural determinants of subtype selectivity and functional activity of angiotensin II receptors. (2016) (16)
- Analysis of Electrostatic Potential Truncation Schemes in Simulations of Polar Solvents (1998) (16)
- Mechanism of substrate dephosphorylation in low Mr protein tyrosine phosphatase (1999) (16)
- Catalytic Adaptation of Psychrophilic Elastase. (2018) (16)
- 3,4-Dihydropyrimidin-2(1H)-ones as Antagonists of the Human A2B Adenosine Receptor: Optimization, Structure-Activity Relationship Studies, and Enantiospecific Recognition. (2020) (15)
- Computer Simulations Reveal Substrate Specificity of Glycosidic Bond Cleavage in Native and Mutant Human Purine Nucleoside Phosphorylase. (2016) (15)
- Evaluation of Adamantane Derivatives as Inhibitors of Dengue Virus mRNA Cap Methyltransferase by Docking and Molecular Dynamics Simulations (2013) (15)
- Energetic tuning by tRNA modifications ensures correct decoding of isoleucine and methionine on the ribosome. (2014) (15)
- Computational Prediction of Structure-Activity Relationships for the Binding of Aminocyclitols to β-Glucocerebrosidase (2011) (15)
- Effect of Nitrogen Atom Substitution in A3 Adenosine Receptor Binding: N-(4,6-Diarylpyridin-2-yl)acetamides as Potent and Selective Antagonists. (2017) (14)
- Free energies underlying ion binding and transport in protein channels: Free energy perturbation simulations of ion binding and selectivity for valinomycin (1991) (14)
- Qgui: A high-throughput interface for automated setup and analysis of free energy calculations and empirical valence bond simulations in biological systems. (2015) (14)
- Peptide Release on the Ribosome Involves Substrate-Assisted Base Catalysis (2016) (13)
- Origin of the Enigmatic Stepwise Tight-Binding Inhibition of Cyclooxygenase-1. (2015) (13)
- Phe369(7.38) at human 5‐HT7 receptors confers interspecies selectivity to antagonists and partial agonists (2010) (13)
- Sensitivity of an empirical affinity scoring function to changes in receptor-ligand complex conformations. (2001) (13)
- Charges for Large Scale Binding Free Energy Calculations with the Linear Interaction Energy Method. (2009) (13)
- Free-energy perturbation calculations of binding and transition-state energies: hydrolysis of phenyl esters by β-cyclodextrin (1999) (13)
- Long‐range electrostatic effects on peptide folding (1999) (13)
- Modelling of Proton Transfer Reactions in Enzymes (2002) (12)
- Towards Rational Computational Engineering of Psychrophilic Enzymes (2019) (12)
- Structural Basis of Inhibition of Human Insulin-Regulated Aminopeptidase (IRAP) by Aryl Sulfonamides (2018) (12)
- Mechanistic alternatives for peptide bond formation on the ribosome (2018) (11)
- Folding-Reaction Coupling in a Self-Cleaving Protein. (2012) (11)
- Computational study of the influence of solvent on (16)O/(18)O equilibrium isotope effects in phosphate deprotonation reactions. (2002) (11)
- Origin of the omnipotence of eukaryotic release factor 1 (2017) (10)
- Structural changes in retinol binding protein induced by retinol removal. A molecular dynamics study. (1986) (10)
- Evolution of Angiotensin Peptides and Peptidomimetics as Angiotensin II Receptor Type 2 (AT2) Receptor Agonists (2020) (10)
- Comparative Analysis of Putative Agonist‐Binding Modes in the Human A1 Adenosine Receptor (2004) (10)
- Prediction of a ligand‐induced conformational change in the catalytic core of Cdc25A (2000) (9)
- A molecular model for the retinol binding protein-transthyretin complex. (1992) (9)
- Metalloenzymes Involving Amino Acid-Residue and Related Radicals (1995) (9)
- Computer-aided design of GPCR ligands. (2015) (9)
- Macrocyclic peptidomimetics as inhibitors of insulin-regulated aminopeptidase (IRAP). (2020) (8)
- A close-up view of codon selection in eukaryotic initiation (2017) (8)
- Q 6 : A comprehensive toolkit for empirical valence bond and related free energy calculations (2018) (8)
- Free Energy Calculations for Protein-Ligand Binding Prediction. (2021) (8)
- Computational modeling of catalysis and binding in low‐molecular‐weight protein tyrosine phosphatase (1999) (7)
- Mutagenesis and homology modeling of the Tn21 integron integrase IntI1. (2009) (7)
- A Series of Analogues to the AT2R Prototype Antagonist C38 Allow Fine Tuning of the Previously Reported Antagonist Binding Mode (2019) (7)
- Characterization of Ligand Binding to GPCRs Through Computational Methods. (2018) (7)
- Hidden Conformational States and Strange Temperature Optima in Enzyme Catalysis (2020) (7)
- Aspects of model building applied to the C-terminal domain of the L12 protein from chloroplast ribosomes: a molecular dynamics study. (1987) (7)
- Thermodynamics of the Purine Nucleoside Phosphorylase Reaction Revealed by Computer Simulations. (2017) (6)
- A molecular dynamics study of the C-terminal fragment of the L7/L12 ribosomal protein (1985) (6)
- Molecular dynamics study of heparin based coatings. (2008) (6)
- Free energy calculations of RNA interactions. (2019) (5)
- Does glutamine methylation affect the intrinsic conformation of the universally conserved GGQ motif in ribosomal release factors? (2009) (5)
- Computer Simulations Reveal an Entirely Entropic Activation Barrier for the Chemical Step in a Designer Enzyme (2022) (5)
- Inhibition of translation termination by small molecules targeting ribosomal release factors (2019) (5)
- Probing the Time Dependency of Cyclooxygenase-1 Inhibitors by Computer Simulations. (2017) (4)
- Synthesis, Evaluation and Proposed Binding Pose of Substituted Spiro‐Oxindole Dihydroquinazolinones as IRAP Inhibitors (2020) (4)
- Structure and mechanism of a phage-encoded SAM lyase revises catalytic function of enzyme family (2020) (4)
- Rate and accuracy of messenger RNA translation on the ribosome (2011) (4)
- Energetics of ion permeation through membrane channels (2005) (4)
- Free energy perturbation simulations of cation binding to valinomycin (1992) (3)
- Principles of tRNAAla Selection by Alanyl–tRNA Synthetase Based on the Critical G3·U70 Base Pair (2019) (3)
- Structure and Mechanism of a Cold-Adapted Bacterial Lipase (2022) (3)
- Consistent calculations of electrostatic free energies in membrane channels. The solvation of Na+ by the gramicidin channel (1989) (2)
- COMPUTER MODELLING OF ION BINDING SITES IN PROTEINS (1992) (2)
- Molecular dynamics as a tool for structural and functional predictions: the retinol binding protein and chloroplast C-terminal fragment of the L12 ribosomal protein cases. (1989) (2)
- Dissecting the Mechanism of (R)-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry (2020) (2)
- Molecular Dynamics Simulations of Substrate Dephosphorylation by Low Molecular Weight Protein Tyrosine Phosphatase (1999) (2)
- Structural Basis of Inhibition of Human Insulin-Regulated Aminopeptidase (IRAP) by Benzopyran-Based Inhibitors (2021) (1)
- Author Correction: Inhibition of translation termination by small molecules targeting ribosomal release factors (2020) (1)
- New potent inhibitors of the malarial aspartyl proteases plasmepsin I and II devoid of cathepsin D inhibitory activity (2003) (1)
- Evolution of Angiotensin Peptides and Peptidomimetics as AT2 Receptor Agonists (2019) (1)
- The GPR139 reference agonists 1a and 7c, and tryptophan and phenylalanine share a common binding site (2017) (1)
- Mechanistic Alternatives in Phosphate Ester Hydrolysis (1999) (1)
- Investigation of the Linear Response Approximation for Predicting Hydration Free Energies (2006) (1)
- X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists (2020) (1)
- Molecular Recognition in the Catalytic Action of Metalloenzymes (1993) (1)
- Cold and Heat Adaptation of Citrate Synthase : Effects on the General Base Catalyzed Keto-Enol Isomerization Step (2007) (1)
- Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations (2021) (1)
- Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 4d (2020) (0)
- Transition States for Psychrophilic and Mesophilic (R)-3-Hydroxybutyrate Dehydrogenase-Catalyzed Hydride Transfer at Sub-zero Temperatures. (2021) (0)
- The Activation Parameters of a Cold-Adapted Short Chain Dehydrogenase Are Insensitive to Enzyme Oligomerization (2022) (0)
- Calculation of Heat Capacity Changes in Enzyme Catalysis and Ligand Binding (2022) (0)
- Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 5d (2020) (0)
- Mechanistic Shifts Along the Linear Free Energy Relationship for Aryl Phosphate Monoester Hydrolysis (2016) (0)
- Principles of Cold-Adaptation of Fish Lactate Dehydrogenases Revealed by Computer Simulations of the Catalytic Reaction. (2023) (0)
- Structure of a phage-encoded SAMase enzyme provides insights in substrate binding and mechanism (2020) (0)
- Author Correction: Inhibition of translation termination by small molecules targeting ribosomal release factors (2020) (0)
- 3,4-Dihydropyrimidin-2(1H)-ones as Antagonists of the Human A2B Adenosine Receptor: SAR Studies, Enantiospecific Recognition and Evidences of Antimetastatic Effect (2020) (0)
- Chapter 7 – Computational enzymology: Protein tyrosine phosphatase reactions (2001) (0)
- Thermodynamically Hidden States Explain the High Accuracy of Protein Synthesis on the Ribosome (2013) (0)
- Fast and Accurate calculation of Lectin/Saccharide Binding Free Energy (2011) (0)
- LIE : Method and Applications in Drug Design (2013) (0)
- The Influence of Charge Models on Binding Free Energy Calculations Using the Linear Interaction Energy Method (2007) (0)
- Interactions of human NPY/PYY C-terminal pentapeptide with the human Y2 receptor (2016) (0)
- The Ribosome as a Water Trap : Nature of the Transition State for the Peptidyl Transfer Reaction (2013) (0)
- ARIEH WARSHEL (0)
- Energetics of stop codon recognition on the ribosome (2009) (0)
- Predicting conformational selectivity in a prototypical GPCR (2020) (0)
- Computer simulations explain the anomalous temperature optimum in a cold-adapted enzyme (2020) (0)
- Biophysical characterization and analysis of a mesophilic chorismate mutase from B. pumilus (2023) (0)
- Reply to 'Comment on models for electrostatic effects in proteins' by J.Aqvist (2005) (0)
- Characterizing an engineered release factor capable of reading all three stop codons (569.2) (2014) (0)
- Active site preorganization as a discriminator in the purine riboswitch (2013) (0)
- Editorial Preface (1983) (0)
- Computing the temperature dependence of chemical reactions inside and outside of living things (2015) (0)
- Crystal Structure of the native chaperone:subunit:subunit Caf1M:Caf1:Caf1 complex (2005) (0)
- Origin of the omnipotence of eukaryotic release factor 1 (2017) (0)
- BRICHOS domain of Surfactant protein C precursor protein (2012) (0)
- Conserved Motifs in Di ff erent Classes of GTPases Dictate their Speci fi c Modes of Catalysis (2016) (0)
- Quantum Mechanical Calculations on Alternative Mechanisms for Peptide Bond Formation on the Ribosome (2017) (0)
- Special Issue Recent Developments of Molecular Dynamics preface (2015) (0)
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