Robert I. Cukier
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Chemist
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Chemistry
Robert I. Cukier's Degrees
- PhD Chemistry Stanford University
- Masters Chemistry Stanford University
- Bachelors Chemistry University of California, Berkeley
Why Is Robert I. Cukier Influential?
(Suggest an Edit or Addition)Robert I. Cukier'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
- Study of the sensitivity of coupled reaction systems to uncertainties in rate coefficients. I Theory (1973) (963)
- Nonlinear sensitivity analysis of multiparameter model systems (1977) (711)
- Proton-coupled electron transfer. (1998) (552)
- Study of the sensitivity of coupled reaction systems to uncertainties in rate coefficients. III. Analysis of the approximations (1975) (417)
- Diffusion of Brownian spheres in semidilute polymer solutions (1984) (253)
- Photoinduced electron transfer mediated by a hydrogen-bonded interface (1992) (162)
- Proton-Coupled Electron Transfer Reactions: Evaluation of Rate Constants (1996) (106)
- Mechanism for Proton-Coupled Electron-Transfer Reactions (1994) (94)
- Molecular dynamics of apo-adenylate kinase: a principal component analysis. (2006) (78)
- A Theory that Connects Proton-Coupled Electron-Transfer and Hydrogen-Atom Transfer Reactions† (2002) (76)
- Molecular dynamics of apo-adenylate kinase: a distance replica exchange method for the free energy of conformational fluctuations. (2006) (68)
- The transition from nonadiabatic to solvent controlled adiabatic electron transfer: Solvent dynamical effects in the inverted regime (1989) (62)
- POLYMER ATTACHED METALLOCENES. EVIDENCE FOR SITE ISOLATION (1977) (59)
- Theory and simulation of proton-coupled electron transfer, hydrogen-atom transfer, and proton translocation in proteins. (2004) (57)
- Dynamics of diffusion‐controlled reactions among stationary sinks: Scaling expansion approach (1982) (56)
- Water chain formation and possible proton pumping routes in Rhodobacter sphaeroides cytochrome c oxidase: a molecular dynamics comparison of the wild type and R481K mutant. (2005) (52)
- Solvent effects on proton‐transfer reactions (1989) (48)
- On the effects of solvent and intermolecular fluctuations in proton transfer reactions (1990) (47)
- Effects of Sr2+-substitution on the reduction rates of Yz* in PSII membranes--evidence for concerted hydrogen-atom transfer in oxygen evolution. (2000) (46)
- Control of proton‐transfer reactions with external fields (1993) (42)
- Diffusion controlled processes among stationary reactive sinks: Effective medium approach (1983) (42)
- A quantum molecular dynamics simulation of an excess electron in methanol (1993) (42)
- Microscopic Theory of Brownian Motion: The Multiple-Time-Scale Point of View (1969) (41)
- Prostaglandin Endoperoxide H Synthases (2007) (41)
- Proton-Coupled Electron Transfer through an Asymmetric Hydrogen-Bonded Interface (1995) (39)
- The transition from nonadiabatic to solvent controlled adiabatic electron transfer kinetics: The role of quantum and solvent dynamics (1988) (38)
- Molecular dynamics and mutational analysis of the catalytic and translocation cycle of RNA polymerase (2012) (38)
- Rotational Relaxation of Molecules in Fluids for Reorientations of Arbitrary Angle (1972) (37)
- Quantum molecular dynamics simulation of proton transfer in cytochrome c oxidase. (2004) (37)
- Generalized stochastic model for molecular rotational motion in dense media (1975) (37)
- The RNA polymerase bridge helix YFI motif in catalysis, fidelity and translocation. (2013) (36)
- Conformational coupling, bridge helix dynamics and active site dehydration in catalysis by RNA polymerase. (2010) (36)
- Excess electron solvation in an imidazolium-based room-temperature ionic liquid revealed by ab initio molecular dynamics simulations. (2009) (35)
- Concentration dependence of diffusion-controlled processes among stationary reactive sinks (1981) (35)
- Concerted hydrogen-atom abstraction in photosynthetic water oxidation. (2000) (34)
- Effect of static correlations on the pair friction coefficient (1980) (33)
- The effect of surface diffusion on surface reaction rates (1983) (32)
- On the microscopic origin of Stokes’ law (1980) (32)
- MOLECULAR DYNAMICS AND QUANTUM CHEMISTRY STUDY OF A PROTON-COUPLED ELECTRON TRANSFER REACTION (1995) (32)
- Catalytic mechanism of yeast cytosine deaminase: an ONIOM computational study. (2004) (31)
- α-Helix C-Terminus Acting as a Relay to Mediate Long-Range Hole Migration in Proteins (2010) (31)
- A molecular dynamics study of water chain formation in the proton-conducting K channel of cytochrome c oxidase. (2005) (30)
- Rational design of hetero-ring-expanded guanine analogs with enhanced properties for modified DNA building blocks. (2007) (30)
- Catalytic mechanism of guanine deaminase: an ONIOM and molecular dynamics study. (2007) (28)
- Kinetic theory of self-diffusion in a hard-sphere fluid (1978) (28)
- Vibrational relaxation in fluids: A critical analysis of the independent binary collision theory (1988) (27)
- On the Microscopic Conditions for Linear Macroscopic Laws (1972) (27)
- Five checkpoints maintaining the fidelity of transcription by RNA polymerases in structural and energetic details (2014) (26)
- Non‐Arrhenius rate constants for nonadiabatic electron transfers: The role of quantum and solvent dynamics (1988) (26)
- Rotational relaxation of molecules in isotropic and anisotropic fluids (1974) (25)
- Kinetic theory of single-particle motion in a fluid (1978) (25)
- Apo adenylate kinase encodes its holo form: a principal component and varimax analysis. (2009) (25)
- Hetero-ring-expansion design for adenine-based DNA motifs: evidence from DFT calculations and molecular dynamics simulations. (2009) (25)
- States and migration of an excess electron in a pyridinium-based, room-temperature ionic liquid: an ab initio molecular dynamics simulation exploration. (2010) (25)
- Role of solvent dynamics in the charge recombination of a donor/acceptor pair (1992) (25)
- Orthogonal polynomial solutions of the Fokker-Planck equation (1973) (25)
- On the quencher concentration dependence of fluorescence quenching: The role of solution dielectric constant and ionic strength (1985) (24)
- Kinetic-Theory Derivation of the Stokes-Einstein Law (1977) (24)
- A molecular dynamics exploration of the catalytic mechanism of yeast cytosine deaminase. (2005) (23)
- Absorption and fluorescence emission spectroscopic characters of size-expanded yDNA bases and effect of deoxyribose and base pairing. (2009) (23)
- Spin Relaxation: The Multiple‐Time‐Scale Point of View (1969) (23)
- Recombination kinetics: Langevin dynamics with a space dependent friction coefficient (1981) (22)
- A THEORY FOR THE RATE CONSTANT OF A DISSOCIATIVE PROTON-COUPLED ELECTRON-TRANSFER REACTION (1999) (22)
- Vibrational relaxation in fluids: A many body scattering formalism (1987) (22)
- Computational Simulation Strategies for Analysis of Multisubunit RNA Polymerases (2013) (21)
- Simulation of Proton Transfer Reaction Rates: The Role of Solvent Electronic Polarization (1997) (21)
- The ergodic properties of an impurity in a harmonic oscillator chain (1971) (21)
- Concentration‐dependent fluorescence quenching and electron scavenging in liquids (1985) (20)
- Kinetic theory derivation of a pair configuration space diffusion equation (1978) (20)
- Global nonlinear sensitivity analysis using walsh functions (1981) (20)
- A molecular dynamics study comparing a wild‐type with a multiple drug resistant HIV protease: Differences in flap and aspartate 25 cavity dimensions (2007) (20)
- Solvent dynamical effects on nonadiabatic electron transfer reactions at low temperature (1989) (18)
- Microscopic theory of condensed phase chemical reactions. I. Pair phase space kinetic equation (1980) (18)
- Solvent dynamical effects on bond‐breaking electron transfer reactions (1994) (17)
- Control of tunneling processes with an external field in a four-level system: an analytic approach (1997) (17)
- Hamiltonian and distance replica exchange method studies of Met-enkephalin. (2007) (17)
- INTERACTION OF ESCHERICHIA COLI RIBOSOMAL RIBONUCLEIC ACID WITH SYNTHETIC POLYNUCLEOTIDES. SEDIMENTATION PROPERTIES, AND THERMAL STABILITY AS MEASURED BY FLUROESCENCE POLARIZATION. (1965) (17)
- Diffusion-influenced reactions (1986) (17)
- Excess dielectron in an ionic liquid as a dynamic bipolaron. (2013) (16)
- Exploration on regulating factors for proton transfer along hydrogen-bonded water chains. (2007) (16)
- A projection operator approach to a dissipative two-level system (1991) (16)
- Dihedral angle entropy measures for intrinsically disordered proteins. (2015) (16)
- A mean-field theory of a localized excess electron in a polar fluid (1993) (16)
- Modification of tunneling dynamics by the application of random external fields (1994) (15)
- Control of tunneling reactions with an external field in a four-level system: A general Redfield approach (1996) (15)
- Kinetic theory of the hydrodynamic interaction between two particles (1981) (15)
- Anisotropic dynamical effects on two‐dimensional potential energy surface reactions: Bond breaking electron transfer reactions (1996) (14)
- Structural character and energetics of tyrosyl radical formation by electron/proton transfers of a covalently linked histidine-tyrosine: a model for cytochrome C oxidase. (2005) (14)
- Solvation of excess electrons in LiF ionic pair matrix: evidence for a solvated dielectron from ab initio molecular dynamics simulations and calculations. (2008) (14)
- Contribution of long-range Coulomb interactions to bimolecular luminescence quenching reactions (1991) (14)
- Molecular Dynamics Simulations of Prostaglandin Endoperoxide H Synthase-1. Role of Water and the Mechanism of Compound I Formation from Hydrogen Peroxide (2002) (14)
- Microscopic theory of condensed phase chemical reactions. II. Configuration space equations (1980) (13)
- A mean‐field theory of a localized excess electron in a classical fluid (1993) (13)
- Exploration of the biological micro-surrounding effect on the excited states of the size-expanded fluorescent base x-cytosine in DNA. (2010) (13)
- Vibrational relaxation in fluids: Calculations based on a many-body scattering formalism (1987) (13)
- Paracyclophane phenols and derivatives. I. Synthesis and pKA values of 4-hydroxy- and 4-amino[2.2]paracyclophane (1967) (12)
- Prostaglandin Endoperoxide H Synthases: Peroxidase Hydroperoxide Specificity and Cyclooxygenase Activation (2007) (11)
- SIMULATION OF EXCITED STATE PROTON TRANSFER REACTION KINETICS (1999) (11)
- Hamiltonian replica exchange method studies of a leucine zipper dimer. (2009) (11)
- A combined ONIOM quantum chemical-molecular dynamics study of zinc-uracil bond breaking in yeast cytosine deaminase. (2006) (11)
- Histidine 386 and Its Role in Cyclooxygenase and Peroxidase Catalysis by Prostaglandin-endoperoxide H Synthases* (2003) (11)
- Effective medium theory of rate processes among stationary reactive sinks with the radiation boundary condition (1983) (11)
- On the validity of stochastic rate equations in finite systems with finite-strength interactions (1972) (11)
- Generating Intrinsically Disordered Protein Conformational Ensembles from a Database of Ramachandran Space Pair Residue Probabilities Using a Markov Chain. (2018) (11)
- Solvation and evolution dynamics of an excess electron in supercritical CO2. (2012) (11)
- On the separation of static and dynamic solvent effects for electron transfer reactions (1992) (10)
- Concentration dependent fluorescence quenching with ionic reactants (1987) (10)
- Proton character of the peptide unit in the Ca2+-binding sites of calcium pump. (2006) (10)
- Effect of metal ions on radical type and proton‐coupled electron transfer channel: σ‐Radical vs π‐radical and σ‐channel vs π‐channel in the imide units (2009) (9)
- Remarkable metal counterion effect on the internucleotide J-couplings and chemical shifts of the N-H...N hydrogen bonds in the W-C base pairs. (2008) (9)
- Dynamical solvent effects in inverted region electron transfer (1993) (9)
- Effects of Donors and Acceptors on the Energetics and Mechanism of Proton, Hydrogen, and Hydride Release from Imidazole (2004) (9)
- Time autocorrelation functions for harmonic solids from Gaussian quadratures (1974) (9)
- Theoretical prediction of the p53 gene mutagenic mechanism induced by trans-4-hydroxy-2-nonenal. (2007) (9)
- A hamiltonian replica exchange method for building protein-protein interfaces applied to a leucine zipper. (2011) (9)
- Electron bridging dihydrogen bond in the imidazole-contained anion derivatives. (2006) (9)
- Hinge action versus grip in translocation by RNA polymerase (2017) (8)
- Dynamic and ergodic properties of an impurity in a harmonic-oscillator chain (1972) (8)
- Relaxation in charge-transfer systems with very large tunnel splitting: A semiclassical stochastic approach (2000) (8)
- Diffusion of interacting Brownian particles in a fluid with fixed macroparticles (1983) (8)
- An enhanced molecular dynamics study of HPPK-ATP conformation space exploration and ATP binding to HPPK. (2009) (8)
- Equilibrium, dynamic, and trapping properties of an excess electron in dense helium (1991) (8)
- The mutual diffusion coefficient of a fluid in the presence of macroparticles (1984) (7)
- Simulation of the frequency-dependent dielectric constant of a composite material (1989) (7)
- On the role of solvent electronic polarization in charge transfer reactions (1995) (7)
- Conformational transition in signal transduction: metastable states and transition pathways in the activation of a signaling protein. (2015) (7)
- Bending Vibration-Governed Solvation Dynamics of an Excess Electron in Liquid Acetonitrile Revealed by Ab Initio Molecular Dynamics Simulation. (2013) (7)
- An imaginary energy method‐based formulation of a quantum rate theory (1995) (7)
- Glucose-Promoted Localization Dynamics of Excess Electrons in Aqueous Glucose Solution Revealed by Ab Initio Molecular Dynamics Simulation. (2014) (7)
- Strong external field effects on electronic dephasing of molecular transitions in condensed media (1999) (6)
- A stochastic theory of translational correlation functions in gases and liquids (1977) (6)
- Transition paths of Met-enkephalin from Markov state modeling of a molecular dynamics trajectory. (2014) (6)
- Hamiltonian replica exchange method study of Escherichia coli and Yersinia pestis HPPK. (2009) (6)
- Molecular morphology of polyethylene determined by NMR (1978) (6)
- Simulations of temperature and salt concentration effects on bZIP, a basic region leucine zipper. (2012) (6)
- Reweighting ensemble probabilities with experimental histogram data constraints using a maximum entropy principle. (2018) (6)
- Application of nonlinear sensitivity analysis to enzyme mechanisms (1981) (5)
- A targeted reweighting method for accelerating the exploration of high-dimensional configuration space. (2005) (5)
- Exploration of the Ca2+ interaction modes of the nifedipine calcium channel antagonist. (2007) (5)
- Theoretical prediction of size‐expansion effect on the C8‐site activity in the modified guanine‐cytosine analogs (2009) (5)
- Conformational transition of response regulator RR468 in a two-component system signal transduction process. (2014) (5)
- Ca2+ selectivity of the sarcoplasmic reticulum Ca2+-ATPase at the enzyme-water interface and in the Ca2+ entrance channel. (2007) (5)
- A molecular dynamics study of the ligand release path in yeast cytosine deaminase. (2007) (5)
- Effective diffusion coefficient of a two-phase material (1987) (5)
- Variance of a potential of mean force obtained using the weighted histogram analysis method. (2013) (4)
- Solvent influenced nonadiabatic transitions: A classical kinetic theory (1988) (4)
- External-field effects on molecular electronic transitions in charge-transfer systems (1998) (4)
- Proton-Coupled Electron Transfer Reactions: A Theoretical Approach (2004) (4)
- Path-integral approach to a semiclassical stochastic description of quantum dissipative systems (2001) (4)
- THE EFFECT OF A STRONG EXTERNAL FIELD ON THE ELECTRONIC DEPHASING OF A SOLUTE THAT IS STRONGLY COUPLED TO A SOLVENT (1999) (4)
- Peroxidase site of prostaglandin endoperoxide H synthase-1: Docking and molecular dynamics studies with a prostaglandin endoperoxide analog (2004) (4)
- Diffusion-controlled reactions with ellipsoids: effective medium theory (1985) (4)
- Comparison between quantum and approximate semiclassical dynamics of an externally driven spin-harmonic oscillator system (2000) (4)
- Ferreting out correlations from trajectory data. (2011) (4)
- Factors determining the deriving force of DNA formation: geometrical differences of base pairs, dehydration of bases, and the arginine assisting. (2007) (4)
- Hydrodynamics of a Suspension of Nondilute Stationary Spheres (1982) (4)
- Mechanism of dihydroneopterin aldolase: a molecular dynamics study of the apo enzyme and its product complex. (2006) (3)
- Simulations of potentials of mean force for separating a leucine zipper dimer and the basic region of a basic region leucine zipper dimer. (2014) (3)
- Generating intrinsically disordered protein conformational ensembles from a Markov chain. (2018) (3)
- The effect of inhomogeneous broadening on optical strong field spectroscopy (2000) (3)
- A temperature-dependent Hartree approach for excess proton transport in hydrogen-bonded chains (2004) (3)
- Hydration effect on interaction mode between glutamic acid and Ca2+ and its biochemical implication: a theoretical exploration (2006) (2)
- Conformational Ensembles Exhibit Extensive Molecular Recognition Features (2018) (2)
- How many atoms are required to characterize accurately trajectory fluctuations of a protein? (2010) (2)
- Entropy Production in Canonically Invariant Systems (1967) (2)
- Machine learning can be used to distinguish protein families and generate new proteins belonging to those families. (2019) (1)
- Diffusion-controlled reactions among stationary sinks (1983) (1)
- 10 How is fidelity maintained in nucleic acids? Two tales in DNA repair and DNA transcription from computer simulations (2015) (1)
- Book review:Rotational Brownian motion and dielectric theory (1982) (0)
- Molecular Dynamics of Oxazole Yellow Dye in its Ground and First Excited Electronic States in Solution and when Intercalated in dsDNA. (2017) (0)
- Advances in liquid crystals. Volume one (Brown, Glenn H., ed.) (1977) (0)
- Computational Studies: Proton/Water Coupling to Metals in Biological Reaction Mechanisms (2009) (0)
- Three Variations on Variational Autoencoders (2022) (0)
- Erratum: Diffusion of interacting Brownian particles in a fluid with fixed macroparticles (The Journal of Chemical Physics (1983) 79 (3911)) (1984) (0)
- For cleaner air [4] (1968) (0)
- Equivalence of the Projection-Operator, Laplace-Transform, and Green's-Function Approaches to Harmonic Lattices (1973) (0)
- A Trigger Sequence in a Leucine Zipper Aids its Dimerization; Simulation Results (2017) (0)
- Erratum: Diffusion of interacting Brownian particles in a fluid with fixed macroparticles [J. Chem. Phys. 79, 3911 (1983)] (1984) (0)
- Equations of motion for rotational motion in liquids (1975) (0)
- Checkpoints controlled by PCNA , DNA and ATP direct the timing and order of events in the clamp loading mechanism (2015) (0)
- A maximum entropy principle approach to a joint probability model for sequences with known neighbor and next neighbor pair probabilities (2020) (0)
- [Synthesis of poly U by RNA polymerase with octoadenylic acid (hepta adenylyl-(3',5')-adenosine) as a template]. (1967) (0)
- DIFFUSION IN SPHERE, ROD AND POLYMER SUSPENSIONS. (1985) (0)
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