Citation Impact
Citing Papers
Identification and functional analysis of genes controlling biosynthesis of 2-methylisoborneol
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RNA polymerase II trigger loop residues stabilize and position the incoming nucleotide triphosphate in transcription
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Automated de novo prediction of native-like RNA tertiary structures
2007 StandoutNobel
Comprehensive genomic characterization of head and neck squamous cell carcinomas
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New spherical‐cutoff methods for long‐range forces in macromolecular simulation
1994
Interfaces and the driving force of hydrophobic assembly
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Crystal Structure of a pol α Family Replication DNA Polymerase from Bacteriophage RB69
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Selective spider toxins reveal a role for the Nav1.1 channel in mechanical pain
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Role of hydrogen bonds in hydrophobicity: the free energy of cavity formation in water models with and without the hydrogen bonds
1994
Selenoether oxytocin analogues have analgesic properties in a mouse model of chronic abdominal pain
2014
Folding of a model three-helix bundle protein: a thermodynamic and kinetic analysis 1 1Edited by A. R. Fersht
1999 StandoutNobel
A Complete Conformational Map for RNA
1999
Inhibitors of Different Structure Induce Distinguishing Conformations in the Omega Loop, Cys69–Cys96, of Mouse Acetylcholinesterase
2002
Position and orientation of the globular domain of linker histone H5 on the nucleosome
1998 StandoutNatureNobel
On/off blinking and switching behaviour of single molecules of green fluorescent protein
1997 StandoutNatureNobel
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2011 StandoutNatureNobel
Homo- and Heteronuclear Two-Dimensional NMR Studies of the Globular Domain of Histone H1: Full Assignment, Tertiary Structure, and Comparison with the Globular Domain of Histone H5
1994 StandoutNobel
Water conduction through the hydrophobic channel of a carbon nanotube
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Conformational Equilibria of Alkanes in Aqueous Solution: Relationship to Water Structure Near Hydrophobic Solutes
1999
Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests
2002
pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model
1990
Treatment of electrostatic effects in macromolecular modeling
1989
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2010
On the Cavitation Energy of Water
2003
Visualizing secretion and synaptic transmission with pH-sensitive green fluorescent proteins
1998 StandoutNatureNobel
Structural basis for dual excitation and photoisomerization of the Aequorea victoria green fluorescent protein
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Nonpolar solutes enhance water structure within hydration shells while reducing interactions between them
2005 StandoutNobel
Copper(I)-Catalyzed Synthesis of Azoles. DFT Study Predicts Unprecedented Reactivity and Intermediates
2004 StandoutNobel
Potential energy function and parameters for simulations of the molecular dynamics of proteins and nucleic acids in solution
1995 StandoutNobel
Close agreement between the orientation dependence of hydrogen bonds observed in protein structures and quantum mechanical calculations
2004 StandoutNobel
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
1996 Standout
Ab Initio Evaluation of the Potential Surface for General Base- Catalyzed Methanolysis of Formamide: A Reference Solution Reaction for Studies of Serine Proteases
2000 StandoutNobel
Choosing the right sugar: How polymerases select a nucleotide substrate
1997
Near-native structure refinement using in vacuo energy minimization
2007 StandoutNobel
Dynamical Contributions to Enzyme Catalysis: Critical Tests of A Popular Hypothesis
2006 StandoutNobel
How the unit cell surface charge distribution affects the energetics of ion–solvent interactions in simulations
1994
Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems
1993 Standout
The pressure dependence of hydrophobic interactions is consistent with the observed pressure denaturation of proteins
1998
Solute Solvent Dynamics and Energetics in Enzyme Catalysis: The SN2 Reaction of Dehalogenase as a General Benchmark
2004 StandoutNobel
Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems
2000
THE GREEN FLUORESCENT PROTEIN
1998 StandoutNobel
Mechanisms of Tetrazole Formation by Addition of Azide to Nitriles
2002 StandoutNobel
Molecular Dynamics Simulation of Amphiphilic Bistable [2]Rotaxane Langmuir Monolayers at the Air/Water Interface
2005 StandoutNobel
Mapping of Functional Groups in Metal-Organic Frameworks
2013 StandoutScienceNobel
A new flexible/polarizable water model
1991
Molecular dynamics study of entangled hard-chain fluids
1996
Hydrophobic Effects. Opinions and Facts
1993
Fluorescence correlation spectroscopy reveals fast optical excitation-driven intramolecular dynamics of yellow fluorescent proteins
2000 StandoutNobel
Molecular motion and solvation of benzene in water, carbon tetrachloride, carbon disulfide and benzene: A combined molecular dynamics simulation and nuclear magnetic resonance study
1998
Classical Electrostatics in Biology and Chemistry
1995 StandoutScience
A Model for Studying Drying at Hydrophobic Interfaces: Structural and Thermodynamic Properties
2001
Apparent NAC Effect in Chorismate Mutase Reflects Electrostatic Transition State Stabilization
2003 StandoutNobel
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
1999 Standout
The histone fold: evolutionary questions.
1995 StandoutNobel
COMPUTER SIMULATIONS WITH EXPLICIT SOLVENT: Recent Progress in the Thermodynamic Decomposition of Free Energies and in Modeling Electrostatic Effects
1998
Why Is Tetrazole Formation by Addition of Azide to Organic Nitriles Catalyzed by Zinc(II) Salts?
2003 StandoutNobel
Solvent dramatically affects protein structure refinement
2008 StandoutNobel
Long-range order in the src SH3 folding transition state
2000 StandoutNobel
Simulations of RNA base pairs in a nanodroplet reveal solvation-dependent stability
2007 StandoutNobel
Remarkable patterns of surface water ordering around polarized buckminsterfullerene
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Can Hydrophobic Interactions Be Correctly Reproduced by the Continuum Models?
1996
Freeze-frame inhibitor captures acetylcholinesterase in a unique conformation
2004 StandoutNobel
Equilibrium thermodynamics of homopolymers and clusters: Molecular dynamics and Monte Carlo simulations of systems with square-well interactions
1997
Dynamic reorganization of the functionally active ribosome explored by normal mode analysis and cryo-electron microscopy
2003 StandoutNobel
A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations
1990 Standout
Catalytic Mechanism and Performance of Computationally Designed Enzymes for Kemp Elimination
2008 StandoutNobel
Dielectric Relaxation and Solvation Dynamics of Water in Complex Chemical and Biological Systems
2000
DNA-Based Asymmetric Catalysis: Sequence-Dependent Rate Acceleration and Enantioselectivity
2008 StandoutNobel
First-Order Disorder-to-Order Transition in an Isolated Homopolymer Model
1996
Thermodynamics of cavity formation in water and n-hexane using the Widom particle insertion method
1999
Quantification of the hydrophobic interaction by simulations of the aggregation of small hydrophobic solutes in water
2001 StandoutNobel
Peptides in ionic solutions: A comparison of the Ewald and switching function techniques
1991
Structure of HIV-1 reverse transcriptase bound to an inhibitor active against mutant reverse transcriptases resistant to other nonnucleoside inhibitors
2004 StandoutNobel
Effect of Electrostatic Force Truncation on Interfacial and Transport Properties of Water
1996
Alternative schemes for the inclusion of a reaction-field correction into molecular dynamics simulations: Influence on the simulated energetic, structural, and dielectric properties of liquid water
1998
Molecular basis for CD40 signaling mediated by TRAF3
2000
A quantum mechanical-Poisson–Boltzmann equation approach for studying charge flow between ions and a dielectric continuum
2000
How to describe protein motion without amino acid sequence and atomic coordinates
2002
Structure of trichodiene synthase from Fusarium sporotrichioides provides mechanistic inferences on the terpene cyclization cascade
2001
Effect of the treatment of long-range forces on the dynamics of ions in aqueous solutions
1995
Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches
1993 StandoutNobel
Quantum Mechanical Continuum Solvation Models
2005 Standout
How important are entropic contributions to enzyme catalysis?
2000 StandoutNobel
Hydrophobic Effects on a Molecular Scale
1998
Molecular spectroscopy and dynamics of intrinsically fluorescent proteins: Coral red (dsRed) and yellow (Citrine)
2000 StandoutNobel
Solvation Free Energies Estimated from Macroscopic Continuum Theory: An Accuracy Assessment
1994
Monte Carlo study of the temperature dependence of the hydrophobic hydration of benzene
1999
Continuum level treatment of electronic polarization in the framework of molecular simulations of solvation effects
2003
Calibration and Testing of a Water Model for Simulation of the Molecular Dynamics of Proteins and Nucleic Acids in Solution
1997 StandoutNobel
A molecular dynamics study of polarizable water
1989
Electrostatic energy in fields provides a route to dielectric permittivity of proteins
2003
Computer Simulation of Molecular Dynamics: Methodology, Applications, and Perspectives in Chemistry
1990
A smooth particle mesh Ewald method
1995 Standout
Unique features in the structure of the complex between HIV-1 reverse transcriptase and the bis(heteroaryl)piperazine (BHAP) U-90152 explain resistance mutations for this nonnucleoside inhibitor
1997
Works of Daniel Van Belle being referenced
Conformational analysis of GpA and GpAp in aqueous solution by molecular dynamics and statistical methods 1 1Edited by A. R. Fersht
1998
Transfer nuclear Overhauser effect study of the conformation of oxytocin bound to bovine neurophysin I
1993
Calculations of electrostatic properties in proteins
1987
Effect of Mutations within the Peripheral Anionic Site on the Stability of Acetylcholinesterase
1999
Development and parametrization of continuum solvent models. II. A unified approach to the solvation problem
1996
Molecular dynamics simulation of polarizable water by an extended Lagrangian method
1992
Computer simulations of liquid water: treatment of long-range interactions
1990
Magnetic relaxation of xenon-131 dissolved in benzene. A study by molecular dynamics and Monte Carlo simulations
1993
Development and parametrization of continuum solvent models. I. Models based on the boundary element method
1996
Molecular dynamics study of methane hydration and methane association in a polarizable water phase
1993
Molecular dynamics of rigid and non-rigid necklaces of hard discs
1980
The BRUGEL package: toward computer-aided design of macromolecules
1988