Citation Impact
Citing Papers
Consistent blind protein structure generation from NMR chemical shift data
2008 StandoutNobel
Crystal structure of a replication fork single-stranded DNA binding protein (T4 gp32) complexed to DNA
1995 StandoutNatureNobel
The effect of intramolecular H-bonds on the aqueous solution continuum description of the N-protonated form of dopamine
1996
Structural Elements in RNA
1991
Multiwfn: A multifunctional wavefunction analyzer
2011 Standout
Short-Term Effects of Nose-Only Cigarette Smoke Exposure on Glutathione Redox Homeostasis, Cytochrome P450 1A1/2 and Respiratory Enzyme Activities in Mice Tissues
2013 Standout
Cooperativity in noncovalent interactions of biologically relevant molecules
2009
[41] Identification of eukaryotic DNA replication proteins using simian virus 40 in Vitro replication system
1995
Average local ionization energy: A review
2010
Calibration of ring-current effects in proteins and nucleic acids
1995
Site-specific mutagenesis of T4 gene 32: the role of tyrosine residues in protein.cntdot.nucleic acid interactions
1989
A conserved secondary structure for telomerase RNA
1991 StandoutNobel
Protein hydration studied with homonuclear 3D1H NMR experiments
1991 StandoutNobel
Sequence-specific1H n.m.r. assignments and determination of the three-dimensional structure of reduced escherichia coli glutaredoxin
1991 StandoutNobel
Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model
2003 Standout
The Flexibility of the Nucleic Acids: (II) The Calculation of Internal Energy and Applications to Mononucleotide Repeat DNA
1986
Structure of the recA protein–ADP complex
1992 StandoutNatureNobel
Principles for designing ideal protein structures
2012 StandoutNatureNobel
The RecA Protein: Structure and Functio
1990
Solution-state structure of a DNA dodecamer duplex containing a Cis-Syn thymine cyclobutane dimer, the major UV photoproduct of DNA
1998
The approach to understanding aromatic hydrocarbon carcinogenesis. The central role of radical cations in metabolic activation
1992
Investigations on DNA intercalation and surface binding by SYBR Green I, its structure determination and methodological implications
2004
The structure of the E. coli recA protein monomer and polymer
1992 StandoutNatureNobel
An appraisal of solvation effects on chemical functional groups: The amidic and the esteric linkages
1990
Copper(I)-Catalyzed Synthesis of Azoles. DFT Study Predicts Unprecedented Reactivity and Intermediates
2004 StandoutNobel
Approximate evaluations of the electrostatic free energy and internal energy changes in solution processes
1982 Standout
Molecular Mechanism for the Initial Process of Visual Excitation. I. Model of Photoisomerization in Rhodopsin and Its Theoretical Basis by a Quantum Mechanical Calculation of Adiabatic Potential
1975
The quantum chemical calculation of environmental effects: A comparative study of charge separation in water dimers
1982
Development and validation of reliable quantum mechanical approaches for the study of free radicals in solution
1996
Defining the Inside and Outside of a Catalytic RNA Molecule
1989 StandoutScienceNobel
Dynamical Contributions to Enzyme Catalysis: Critical Tests of A Popular Hypothesis
2006 StandoutNobel
Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane and n-Alkane Molecules
1968 StandoutNobel
Protein Structure Determination in Solution by Nuclear Magnetic Resonance Spectroscopy
1989 StandoutScienceNobel
Toward an effective and reliable representation of solvent effects in the study of biochemical systems
1999
Crystal Structure of a Group I Ribozyme Domain: Principles of RNA Packing
1996 StandoutScienceNobel
Calcium Ion Coordination: A Comparison with That of Beryllium, Magnesium, and Zinc
1996
Azidoazomethine−Tetrazole Isomerism in Solution: A Thermochemical Study
1998
On the interaction of caffeine with nucleic acids
1980
Ab initio study of ionic solutions by a polarizable continuum dielectric model
1998 Standout
Advances in Molecular Diamagnetism
1966
A direct procedure for the evaluation of solvent effects in MC-SCF calculations
1999
Conformational properties of the acetylcholine receptor as revealed by studies with constrained depolarizing ligands
1979
Bicycle-pedal model for the first step in the vision process
1976 StandoutNatureNobel
Conformation of the Na+ complex of antamanide in solution
1971
Catalytic iron-carbene intermediate revealed in a cytochrome c carbene transferase
2018 StandoutNobel
TROSY in triple-resonance experiments: New perspectives for sequential NMR assignment of large proteins
1998 StandoutNobel
Conformations of the Li-Antamanide Complex and Na-[Phe 4 , Val 6 ]Antamanide Complex in the Crystalline State
1973 StandoutNobel
Analytical expressions of the free energy derivatives for molecules in solution. Application to the geometry optimization
1995
Proton NMR (500 MHz) identification of aromatic residues of gene 32 protein involved in DNA binding by use of protein containing perdeuterated aromatic residues and by site-directed mutagenesis
1986
Metabolism of polycyclic compounds. 21. The metabolism of phenanthrene in rabbits and rats: dihydrodihydroxy compounds and related glucosiduronic acids
1962
Effective generation of molecular cavities in polarizable continuum model by DefPol procedure
1999
A new definition of cavities for the computation of solvation free energies by the polarizable continuum model
1997 Standout
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
1999 Standout
Structural Relationship of Bacterial RecA Proteins to Recombination Proteins from Bacteriophage T4 and Yeast
1993 StandoutScienceNobel
Solvation effects on reaction profiles by the polarizable continuum model coupled with the Gaussian density functional method
1998
Continuum models of environmental effects on molecular structure and mechanisms in chemistry and biology
1992
Development and Applications of Disulfonimides in Enantioselective Organocatalysis
2015 StandoutNobel
Solvent effect on vertical electronic transitions by the polarizable continuum model
2000
Catalytic Asymmetric Hydroalkoxylation of C–C Multiple Bonds
2021 StandoutNobel
Analytical first derivatives of molecular surfaces with respect to nuclear coordinates
1996
Evaluation of the dispersion contribution to the solvation energy. A simple computational model in the continuum approximation
1989
Protein Hydration in Aqueous Solution
1991 StandoutScienceNobel
Solvent effects on the stability of A7U7p
1985
Stable DNA heteroduplex formation catalyzed by the Escherichia coli RecA protein in the absence of ATP hydrolysis.
1990
Enzyme-catalysed reactions of polycyclic hydrocarbons with deoxyribonucleic acid and protein in vitro
1968
The Chemistry of Self-Splicing RNA and RNA Enzymes
1987 StandoutScienceNobel
The Cluster−Continuum Model for the Calculation of the Solvation Free Energy of Ionic Species
2001
Solvent dramatically affects protein structure refinement
2008 StandoutNobel
Molecular mechanisms of DNA repair inhibition by caffeine.
1990 StandoutNobel
DNA origami protection and molecular interfacing through engineered sequence-defined peptoids
2020 StandoutNobel
Reversible Photocontrol of Biological Systems by the Incorporation of Molecular Photoswitches
2013 StandoutNobel
Alkaline Phosphatase, Solution Structure, and Mechanism
1983
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
Computer simulations of protein functions: Searching for the molecular origin of the replication fidelity of DNA polymerases
2005 StandoutNobel
Energetic coupling between DNA bending and base pair opening.
1988
Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
1981 Standout
Proton transfer in excited electronic states: environmental effects on the tautomerization of 2-pyridone
1994
Study of solvent effects by means of averaged solvent electrostatic potentials obtained from molecular dynamics data
1997
Spin—spin coupling and the conformational states of peptide systems
1976
Ab initio study of solvated molecules: a new implementation of the polarizable continuum model
1996 Standout
Schizosaccharomyces pombe cdc 20 + encodes DNA polymerase ɛ and is required for chromosomal replication but not for the S phase checkpoint
1997 StandoutNobel
Model-Independent Analysis of 15N Chemical Shift Anisotropy from NMR Relaxation Data. Ubiquitin as a Test Example
1998
Proton NMR (500 MHz) of gene 32 protein-oligonucleotide complexes
1984
Dielectric Relaxation and Solvation Dynamics of Water in Complex Chemical and Biological Systems
2000
Molecular orbital calculations on the P?S bond cleavage step in the hydroperoxidolysis of nerve agent VX
1998
Qualitative and quantitative studies on the metabolism of a series of aromatic hydrocarbons by rat-liver preparations
1970
Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model
1998 Standout
Structure and mechanism of the reversible photoswitch of a fluorescent protein
2005 StandoutNobel
Arene Oxides: A New Aspect of Drug Metabolism
1974 StandoutScience
Solute-solvent interactions. a simple procedure for constructing the solvent cavity for retaining a molecular solute
1989
Magnetic Field Dependence of Nitrogen−Proton J Splittings in 15N-Enriched Human Ubiquitin Resulting from Relaxation Interference and Residual Dipolar Coupling
1996
Quantum mechanical tunnelling in biological systems
1980
Activation of olefins via asymmetric Brønsted acid catalysis
2018 StandoutScienceNobel
Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches
1993 StandoutNobel
An integrated effective fragment—polarizable continuum approach to solvation: Theory and application to glycine
2002
Integral Equation and ab Initio Study of the Effect of Solvation on Anomeric Equilibria in Aqueous Solution: Application to 4,6-Dimethyl-2-methoxytetrahydropyran
1998
Quantum Mechanical Continuum Solvation Models
2005 Standout
Nuclear Magnetic Resonance Spectroscopy of Amino Acids, Peptides, and Proteins
1970
On the ab initio evaluation of the solvent shift of electronic absorption spectra
1981
Analysis of the Opposite Solvent Effects Caused by Different Solute Cavities on the Metal−Water Distance of Monoatomic Cation Hydrates
2002
NMR scalar couplings across Watson–Crick base pair hydrogen bonds in DNA observed by transverse relaxation-optimized spectroscopy
1998 StandoutNobel
The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin
1988 Standout
Conformational Preferences of 2-Phenethylamines. A Computational Study of Substituent and Solvent Effects on the Intramolecular Amine−Aryl Interactions in Charged and Neutral 2-Phenethylamines
1997
Quantum chemistry in the condensed phase: an extended direct reaction field approach
1992
Dispersed Polaron Simulations of Electron Transfer in Photosynthetic Reaction Centers
1989 StandoutScienceNobel
Attenuated T 2 relaxation by mutual cancellation of dipole–dipole coupling and chemical shift anisotropy indicates an avenue to NMR structures of very large biological macromolecules in solution
1997 StandoutNobel
Theoretical Studies on the Continuum Solvation of Some N,N‘-Dimethyl- and N-Methyl,N‘-acetyl-Guanidine and Guanidinium Conformers
1999
Ab initio study of the solvent effect on the basicity of methylamines
1984
Electronic Population Analysis on LCAO–MO Molecular Wave Functions. II. Overlap Populations, Bond Orders, and Covalent Bond Energies
1955 Standout
C13 Nuclear Magnetic Resonance Spectroscopy. IV. Aniline, N,N-Dimethylaniline, and Their Methyl Derivatives: Steric Inhibition of Conjugation
1963 StandoutNobel
RNA structure
1977
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
2009 Standout
Extension of the MST model to the IEF formalism: HF and B3LYP parametrizations
2005
A multiconfigurational self-consistent reaction-field method
1988
Theoretical Study on the Acidities of Chiral Phosphoric Acids in Dimethyl Sulfoxide: Hints for Organocatalysis
2013
Magnetic Susceptibility of Molecular Carbon: Nanotubes and Fullerite
1994 StandoutScienceNobel
Structure and Function of DNA Photolyase and Cryptochrome Blue-Light Photoreceptors
2003 StandoutNobel
In Vitro Transformation of Rodent Cells by K-Region Derivatives of Polycyclic Hydrocarbons
1971
Works of B. Pullman being referenced
Binding of Non-Intercalating Antibiotics to B-DNA: A Theoretical Study Taking Into Account Nucleic Acid Flexibility
1986
The Flexibility of the Nucleic Acids: (I) “SIR”, a Novel Approach to the Variation of Polymer Geometry in Constrained Systems
1986
The Dependence of the Surface Electrostatic Potential of B-DNA on Environmental Factors
1985
Quantum mechanical calculations of NMR chemical shifts in nucleic acids
1987
Quantum Mechanical Study of the Conformational and Electronic Properties of Acetylcholine and Its Agonists Muscarine and Nicotine
1971
Interaction energies in hydrogen-bonded purine-pyrimidine triplets.
1967
Molecular orbital calculations on the conformation of polypeptides and proteins
1970
Ab initio quantum mechanical calculations of the magnetic shielding constants of the different nuclei of cytosine
1982
Quantum mechanical study of the conformational properties of phenethylamines of biochemical and medicinal interest
1972
Recherches expérimentales et théoriques sur l’anisotropie diamagnétique des composés aromatiques non-benzénoides et des systèmes quinoniques
1952
A quantum mechanical investigation of the bathochromic shift in visual pigments
2009
On the conformational varieties of acetylcholine in the crystals of its halides
1978
Les Théories Électroniques de la Chimie Organique
1952
Electronic structure of the α-amino acids of proteins
1963
Ab initio quantum mechanical calculations of the magnetic shielding tensor of phosphorus-31 of the phosphate group
1979
Recent developments on the mechanism of chemical carcinogenesis by aromatic hydrocarbons
1979
Studies of solvent effects. 1. Discrete, continuum, and discrete-continuum models and their comparison for some simple cases: ammonium(1+) ion, methanol, and substituted ammonium(1+) ion
1978
On the atomic or “local” contributions to proton chemical shifts due to the anisotropy of the diamagnetic susceptibility of the nucleic acid bases
1976
The conformational energy map of an alanyl residue preceding proline: A quantum-mechanical approach
1970
Purine–water interactions in base stacking
1980
Studies of solvent effects
1977
Calcul quantique de l'anisotropie diamagnétique des molécules organiques - I. La méthode
1951
Electronic Structure and Carcinogenic Activity of Aromatic Molecules New Developments
1955
[Metabolic formation of diols and phenols of aromatic hydrocarbons].
1954
Etude par la méthode du champ moleculaire self-consistant de la Structure electronique des bases puriques et Pyrimidiques d'intérêt biochimique
1963
Theoretical study of the hydration of B-DNA
1977
Water and Ions in Biomolecular Systems
1990
Molecular Biophysics: International Summer School
1964 Science