Standout Papers
- Statistical Thermodynamics of Solutions (1956)
- Surface tension and adsorption (1966)
- Statistical thermodynamics of solutions of molecules with spherical field of forces (1953)
- Statistical theory of r‐mers solutions (1955)
- Application of the Cell Model to the Statistical Thermodynamics of Solutions. Volume Change of Mixing in Solutions of Molecules Slightly Different in Size (1953)
Citation Impact
Citing Papers
GROMACS: Fast, flexible, and free
2005 Standout
Atomic packing and short-to-medium-range order in metallic glasses
2006 StandoutNature
Interfaces and the driving force of hydrophobic assembly
2005 StandoutNature
Small-Molecule Inhibition of c-MYC:MAX Leucine Zipper Formation Is Revealed by Ion Mobility Mass Spectrometry
2012 StandoutNobel
A perspective on the interfacial properties of nanoscopic liquid drops
2012
Empirical force fields for biological macromolecules: Overview and issues
2004
Folding of a model three-helix bundle protein: a thermodynamic and kinetic analysis 1 1Edited by A. R. Fersht
1999 StandoutNobel
Jamming Criticality Revealed by Removing Localized Buckling Excitations
2015 StandoutNobel
Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature
1997 Standout
Universal Microstructure and Mechanical Stability of Jammed Packings
2012 StandoutNobel
Hard-sphere crystallization gets rarer with increasing dimension
2009
A thermodynamic model for force integration and microtubule assembly during axonal elongation
1988
The role of fatty acid unsaturation in minimizing biophysical changes on the structure and local effects of bilayer membranes
2009
Nano-sized transition-metal oxides as negative-electrode materials for lithium-ion batteries
2000 StandoutNature
Hydration and DNA Recognition by Homeodomains
1996 StandoutNobel
Potential for biomolecular imaging with femtosecond X-ray pulses
2000 StandoutNature
Separating water isotopologues using diffusion-regulatory porous materials
2022 StandoutNatureNobel
Molecular dynamics simulation of a phospholipid membrane
1994
Glass Transition and Random Close Packing above Three Dimensions
2011 StandoutNobel
Specific Ion Effects at the Air/Water Interface
2005 Standout
The Unexpected Importance of the Primary Structure of the Hydrophobic Part of One-Component Ionizable Amphiphilic Janus Dendrimers in Targeted mRNA Delivery Activity
2022 StandoutNobel
Hydrocarbon Separations in a Metal-Organic Framework with Open Iron(II) Coordination Sites
2012 StandoutScience
Constrained dynamics of flexible molecules
1980
Computer simulation of the generalized brownian motion
1982
Near-native structure refinement using in vacuo energy minimization
2007 StandoutNobel
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
1977 Standout
Isomerization dynamics in liquids by molecular dynamics
1980
Molecular dynamics simulations of the surface tension of n-hexane, n-decane and n-hexadecane
2002
Surface-sandwich segregation on nondilute bimetallic alloys:Pt 50 Ni 50 Pt 78 Ni 22
1985
Dynamical Contributions to Enzyme Catalysis: Critical Tests of A Popular Hypothesis
2006 StandoutNobel
Flexible vs rigid constraints in statistical mechanics
1979
New numerical method to study phase transitions
1990 StandoutNobel
Perturbation theory for molecular fluids using a nonspherical reference potential
1974
Computer Simulation of Liquids
2017 Standout
Molecular Dynamics Simulation of Amphiphilic Bistable [2]Rotaxane Langmuir Monolayers at the Air/Water Interface
2005 StandoutNobel
Theory of the hydrophobic effect
1977
Scaled Particle Theory of Fluid Mixtures
1965
Molecular dynamics study of entangled hard-chain fluids
1996
“What is ‘liquid’? Understanding the states of matter”
1998
Modified nonequilibrium molecular dynamics for fluid flows with energy conservation
1997
Projector augmented-wave method
1994 Standout
Extensions of the molecular dynamics simulation method. II. Isothermal systems
1983
Mechanotransduction Across the Cell Surface and Through the Cytoskeleton
1993 StandoutScience
Fluid transport properties by equilibrium molecular dynamics. III. Evaluation of united atom interaction potential models for pure alkanes
2000
Special geometrical constraints in the molecular dynamics of chain molecules
1985
GROMACS: A message-passing parallel molecular dynamics implementation
1995 Standout
What is "liquid"? Understanding the states of matter
1976 Standout
Profile unbiased thermostat with dynamical streaming velocities
1996
Improved Oxygen Reduction Activity on Pt 3 Ni(111) via Increased Surface Site Availability
2007 StandoutScience
Static Critical Exponents at Structural Phase Transitions
1971 StandoutNobel
On the computation of correlation functions in molecular dynamics experiments
1976
A computer simulation study of idealized model tetrahedral molecules
1986
Critical Scattering Parameters for General Fields and Temperatures
1974 StandoutNobel
Molecular dynamics with coupling to an external bath
1984 Standout
Introduction of Andersen’s demon in the molecular dynamics of systems with constraints
1983
Isotopic Impurity Tunneling in SolidHe 4
1971 StandoutNobel
Size effect on the melting temperature of gold particles
1976 Standout
The statistical mechanics of the ionic equilibrium of water: A computer simulation study
1988
The surface tension of water: A Monte Carlo calculation using an umbrella sampling algorithm
1980
Dimensional study of the caging order parameter at the glass transition
2012 StandoutNobel
Use of Computer Experiments to Locate the Melting Transition and Calculate the Entropy in the Solid Phase
1967
Investigations of static properties of model bulk polymer fluids
1980
A concerted rotation algorithm for atomistic Monte Carlo simulation of polymer melts and glasses
1993
Stereostructure of (−)-Chloropeptin I, a Novel Inhibitor of gp120−CD4 Binding, via High- Temperature Molecular Dynamics, Monte Carlo Conformational Searching, and NMR Spectroscopy
1996 StandoutNobel
Solvent dramatically affects protein structure refinement
2008 StandoutNobel
Freezing/melting phenomena for Lennard-Jones methane in slit pores: A Monte Carlo study
1997
The nature of the hydrated excess proton in water
1999 StandoutNature
Equilibrium thermodynamics of homopolymers and clusters: Molecular dynamics and Monte Carlo simulations of systems with square-well interactions
1997
Structures and Properties of Self-Assembled Monolayers of Bistable [2]Rotaxanes on Au (111) Surfaces from Molecular Dynamics Simulations Validated with Experiment
2005 StandoutNobel
United Atom Force Field for Alkanes in Nanoporous Materials
2004
Progress in Modeling of Protein Structures and Interactions
2005 StandoutScienceNobel
Hydrogen-bond kinetics in liquid water
1996 StandoutNature
Transfer RNA in the hybrid P/E state: Correlating molecular dynamics simulations with cryo-EM data
2007 StandoutNobel
Theory of Phase Separation in SolidHe 3 He 4
1968
Molecular dynamics study of the dynamical properties of an assembly of infinitely thin hard rods
1983
Canonical sampling through velocity rescaling
2007 Standout
A lattice model for self-avoiding polymers with controlled length distributions. II. Corrections to Flory–Huggins mean field
1986 StandoutNobel
Homogeneous non-equilibrium molecular dynamics simulations of viscous flow: techniques and applications
2007
Simulation of polymers by self-avoiding, nonintersecting random chains at various concentrations
1977
Recent progress in alkaline water electrolysis for hydrogen production and applications
2009 Standout
Protein contents in biological membranes can explain abnormal solvation of charged and polar residues
2009
A unified formulation of the constant temperature molecular dynamics methods
1984 Standout
First-Order Disorder-to-Order Transition in an Isolated Homopolymer Model
1996
Thermodynamic perturbation theory for simple polar fluids. II
1974
The theory of equilibrium critical phenomena
1967 Standout
Chemistry of Isotopes
1965 Science
Small Perturbations in Solution Theory
1958
A molecular dynamics study of the hard dumb-bell system
1987
Electronic and ionic transport properties and other physical aspects of perovskites
2004 StandoutNobel
Scaled particle theory: Solution to the complete set of scaled particle theory conditions: Applications to surface structure and dilute mixtures
1975
Quantum Mechanical Continuum Solvation Models
2005 Standout
Polymers and scaling
1976
Fast Parallel Algorithms for Short-Range Molecular Dynamics
1995 Standout
Critical Exponents in 3.99 Dimensions
1972 StandoutNobel
Algorithms for macromolecular dynamics and constraint dynamics
1977 Standout
Configurations of macromolecular chains confined to strips or tubes
1977
Thermostating highly confined fluids
2010
End-Bridging Monte Carlo: A Fast Algorithm for Atomistic Simulation of Condensed Phases of Long Polymer Chains
1999
Phase diagrams and critical behavior in Ising square lattices with nearest- and next-nearest-neighbor interactions
1980
2.1 and 1.8 Å Average Cα RMSD Structure Predictions on Two Small Proteins, HP-36 and S15
2001 StandoutNobel
Transient behavior of a model fluid under applied shear
2013
Thermodynamic perturbation theory for simple polar fluids, I
1972
A New Leapfrog Integrator of Rotational Motion. The Revised Angular-Momentum Approach
1999
On the Equivalence of Schemes for Simulating Bilayers at Constant Surface Tension
2012
Algorithm for numerical integration of the rigid-body equations of motion
1998
Water photolysis at 12.3% efficiency via perovskite photovoltaics and Earth-abundant catalysts
2014 StandoutScience
Phase Transitions of the Lennard-Jones System
1969
On the energetics of translocon-assisted insertion of charged transmembrane helices into membranes
2010 StandoutNobel
Computer Simulation of Molecular Dynamics: Methodology, Applications, and Perspectives in Chemistry
1990
Formation of a One-Dimensional Array of Oxygen in a Microporous Metal-Organic Solid
2002 StandoutScienceNobel
A smooth particle mesh Ewald method
1995 Standout
Works of A. Bellemans being referenced
Phase Transitions in Two-Dimensional Lattice Gases of Hard-Square Molecules
1967
Born–Green–Yvon and Kirkwood Hierarchies in Equilibrium
1969
Internal transition in an infinitely long polymer chain
1975
Effets isotopiques et propriétés thermodynamiques en phase condensée. III
1954
Mean Dimension of a Polymer Chain in Athermal Solutions and in Bulk Phase
1975
Molecular dynamics of rough disks assemblies and dielectric relaxation
1971
The properties of isotopic liquids
1958
Surface tension and adsorption
1966 Standout
Statistical Thermodynamics of Solutions
1956 StandoutNobel
Phase Transitions in the Hard-Square Lattice Gas
1966
On the Osmotic Second Viral Coefficient of Athermal Polymer Solutions
1974
On the combinatorial entropy of athermal polymer solutions
1973
Molecular dynamics of liquid n-butane near its boiling point
1975
On the Osmotic Second Virial Coefficient of Polymer Solutions
1976
Evaluation of transport coefficients of simple fluids by molecular dynamics: Comparison of Green-Kubo and nonequilibrium approaches for shear viscosity
1989
The rotation-translation coupling in diatomic molecules
1981
Concentration Dependence of the Mean Dimension of a Polymer Chain
1974
Molecular dynamics simulation of the diffusion of n-butane and i-butane in silicalite
1998
Molecular dynamics of rigid and non-rigid necklaces of hard discs
1980
Free Energy of an Assembly of Nonspherical Molecules with a Hard Core
1968
Comment on ``Quantum Effects in Liquid Hydrogen''
1964
Statistical mechanics of surface phenomena
1962
Shear-Rate Dependence of the Viscosity of Simple Fluids by Nonequilibrium Molecular Dynamics
1988