Citation Impact
Citing Papers
Molecular dynamics simulation of a hydrated phospholipid bilayer
1994
GROMACS: Fast, flexible, and free
2005 Standout
Modeling electrostatic effects in proteins
2006 StandoutNobel
Relationship between structural order and the anomalies of liquid water
2001 StandoutNature
Multi-mW, few-cycle mid-infrared continuum spanning from 500 to 2250 cm−1
2017 StandoutNobel
Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature
1997 Standout
Do we underestimate the importance of water in cell biology?
2006 Standout
At the dawn of the 21st century: Is dynamics the missing link for understanding enzyme catalysis?
2009 StandoutNobel
Hybrid porous solids: past, present, future
2007 Standout
Specific Ion Effects at the Air/Water Interface
2005 Standout
Potential energy function and parameters for simulations of the molecular dynamics of proteins and nucleic acids in solution
1995 StandoutNobel
The dielectric constant of water. Computer simulations with the MCY potential
1985
New International Formulation for the Viscosity of H2O
2009
Effect of Ions on the Structure of Water: Structure Making and Breaking
2009 Standout
Study of melting and freezing in the Gaussian core model by molecular dynamics simulation
1978
A potential model for the study of ices and amorphous water: TIP4P/Ice
2005 Standout
Solvent Structure, Dynamics, and Ion Mobility in Aqueous Solutions at 25 °C
1998 Standout
Molecular dynamics simulation of dielectric properties of water
1987
Structure and hydrogen bonding of liquid water at high hydrostatic pressures: Monte Carlo NPT-ensemble simulations up to 10 kbar
1999
Dynamical Contributions to Enzyme Catalysis: Critical Tests of A Popular Hypothesis
2006 StandoutNobel
Structure and Nanostructure in Ionic Liquids
2015 Standout
Computer Simulation of Liquids
2017 Standout
Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems
1993 Standout
Supercooled and glassy water
2003
Hydrogen bonding definitions and dynamics in liquid water
2007
Are There Hydrogen Bonds in Supercritical Water?
1997
A new flexible/polarizable water model
1991
Microscopic simulations of macroscopic dielectric constants of solvated proteins
1991 StandoutNobel
Relation of vibrational frequency shifts to molecular compression in liquid benzene
1985 StandoutNobel
Cryo-EM structure of the mechanically activated ion channel OSCA1.2
2018 StandoutNobel
Plasma assisted combustion: Dynamics and chemistry
2015 Standout
Combined fluctuating charge and polarizable dipole models: Application to a five-site water potential function
2001
Density and temperature dependence of self-diffusion and shear viscosity of perfluorocyclobutane in the dense fluid region
1977
A surface constrained all-atom solvent model for effective simulations of polar solutions
1989 StandoutNobel
Vibrational frequency shifts induced by molecular compression of pyridine in solution
1986 StandoutNobel
Noncovalent Interactions: A Challenge for Experiment and Theory
1999 Standout
Transport processes in compressed liquid methanol
1977
The Origin of Layer Structure Artifacts in Simulations of Liquid Water
2005
Consistent dielectric properties of the simple point charge and extended simple point charge water models at 277 and 300 K
1994
Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field
2004 Standout
A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions
2000 Standout
Roles of Water for Chemical Reactions in High-Temperature Water
2002 Standout
Microstructure of Ambient and Supercritical Water. Direct Comparison between Simulation and Neutron Scattering Experiments
1996
The combustion properties of 2,6,10-trimethyl dodecane and a chemical functional group analysis
2013
How Hydrophobic Buckminsterfullerene Affects Surrounding Water Structure
2008 StandoutNobel
Atomic charges derived from semiempirical methods
1990 Standout
The experimental evaluation of a methodology for surrogate fuel formulation to emulate gas phase combustion kinetic phenomena
2012
A general purpose model for the condensed phases of water: TIP4P/2005
2005 Standout
Computer simulation of the dynamics of aqueous solvation
1988
Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations
2008 Standout
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
2013 Standout
The extended Ewald method: A general treatment of long-range electrostatic interactions in microscopic simulations
1988 StandoutNobel
Molecular dynamics studies of sorbates in zeolites: water in ferrierite
1991
Vibrational Spectroscopy as a Probe of Structure and Dynamics in Liquid Water
2009
The nature of the hydrated excess proton in water
1999 StandoutNature
A stringent test of the cavity concept in continuum dielectrics
1997 StandoutNobel
Pressure effects on the dynamic structure of liquids
1984
System-Size Dependence of Diffusion Coefficients and Viscosities from Molecular Dynamics Simulations with Periodic Boundary Conditions
2004 Standout
A neutron scattering study of liquid D2O under pressure and at various temperatures
1995
Aqueous Ion Transport Properties and Water Reorientation Dynamics from Ambient to Supercritical Conditions
1998
Dielectric relaxation in water. Computer simulations with the TIP4P potential
1986
Nuclear Magnetic Resonance at High Pressure
1982 Science
Properties of flexible water models
1991
Self-diffusion in compressed supercritical water
1981
From Microporous to Mesoporous Molecular Sieve Materials and Their Use in Catalysis
1997 Standout
Canonical sampling through velocity rescaling
2007 Standout
The effects of pressure on structural and dynamical properties of associated liquids: Molecular dynamics calculations for the extended simple point charge model of water
1997
In Situ pH Probing of Hydrothermal Solutions by NMR
1999
Solvation energies and electronic spectra in polar, polarizable media: Simulation tests of dielectric continuum theory
1996
Peptides in ionic solutions: A comparison of the Ewald and switching function techniques
1991
Supercooled liquids and the glass transition
2001 StandoutNature
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
High pressure study of associated media: Raman scattering of pyridine complexes in aqueous solution
1986 StandoutNobel
A systematic study of water models for molecular simulation: Derivation of water models optimized for use with a reaction field
1998
Effective pair potentials and the properties of water
1989
First-principles simulation: ideas, illustrations and the CASTEP code
2002 Standout
Pure and Pseudo-pure Fluid Thermophysical Property Evaluation and the Open-Source Thermophysical Property Library CoolProp
2014 Standout
The relationship between liquid, supercooled and glassy water
1998 StandoutNature
Quantum Mechanical Continuum Solvation Models
2005 Standout
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew
2004 Standout
Structure and Dynamics of the TIP3P, SPC, and SPC/E Water Models at 298 K
2001 Standout
Water above its boiling point: Study of the temperature and density dependence of the partial pair correlation functions. I. Neutron diffraction experiment
1994
A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums
2004
From silicon to RNA: The coming of age of ab initio molecular dynamics
1997
13C relaxation and extended diffusion in prolate symmetric-top molecules
1980 StandoutNobel
Calibration and Testing of a Water Model for Simulation of the Molecular Dynamics of Proteins and Nucleic Acids in Solution
1997 StandoutNobel
Phase behaviour of metastable water
1992 StandoutNature
Anomalies of Liquid Water
1982
Diffusion in supercooled water to 300 MPa
1987
Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient-corrected density functionals
1996
Simulations of ice and liquid water over a range of temperatures using the fluctuating charge model
2001
A smooth particle mesh Ewald method
1995 Standout
Works of T. DeFries being referenced
Self-diffusion in compressed liquid heavy water
1976
Prediction of cetane number by group additivity and carbon-13 Nuclear Magnetic Resonance
1987
Pressure dependence of NMR proton spin–lattice relaxation times and shear viscosity in liquid water in the temperature range −15–10 °C
1977
NMR proton relaxation in compressed supercritical water
1978
NMR probe for high-pressure and high-temperature experiments
1979
Molecular motions in compressed liquid heavy water at low temperatures
1977
Molecular motions in compressed liquid water
1976