Citation Impact
Citing Papers
GROMACS: Fast, flexible, and free
2005 Standout
Atomic packing and short-to-medium-range order in metallic glasses
2006 StandoutNature
Bridging Microscopic and Mesoscopic Simulations of Lipid Bilayers
2002
Multi-protein assemblies underlie the mesoscale organization of the plasma membrane
2014 StandoutNobel
Folding of a model three-helix bundle protein: a thermodynamic and kinetic analysis 1 1Edited by A. R. Fersht
1999 StandoutNobel
Designing the next generation of proton-exchange membrane fuel cells
2021 StandoutNature
The computational route from bilayer membranes to vesicle fusion
2006
Simulation Studies of Protein-Induced Bilayer Deformations, and Lipid-Induced Protein Tilting, on a Mesoscopic Model for Lipid Bilayers with Embedded Proteins
2005
Membrane fusion
2002
Native proteins are surface-molten solids: application of the lindemann criterion for the solid versus liquid state 1 1Edited by A. R. Fersht
1999 StandoutNobel
Membrane protein sequestering by ionic protein–lipid interactions
2011 StandoutNatureNobel
Membrane Fusion
2003 StandoutNobel
Mesoscale modeling of the water liquid-vapor interface: A surface tension calculation
2011
Scalable molecular dynamics with NAMD
2005 Standout
Efficient computation of three-dimensional protein structures in solution from nuclear magnetic resonance data using the program DIANA and the supporting programs CALIBA, HABAS and GLOMSA
1991 StandoutNobel
Uniquantal Release through a Dynamic Fusion Pore Is a Candidate Mechanism of Hair Cell Exocytosis
2014 StandoutNobel
Biopolymer functionalized reduced graphene oxide with enhanced biocompatibility via mussel inspired coatings/anchors
2012
Can purely repulsive soft potentials predict micelle formation correctly?
2005
Protein–Protein Docking with Simultaneous Optimization of Rigid-body Displacement and Side-chain Conformations
2003 StandoutNobel
Molecular Simulation of the Effect of Cholesterol on Lipid-Mediated Protein-Protein Interactions
2010
Torsion angle dynamics for NMR structure calculation with the new program Dyana
1997 StandoutNobel
Simulating the effect of alcohol on the structure of a membrane
2004
Effect of Molecular Weight on Hydrated Morphologies of the Short-Side-Chain Perfluorosulfonic Acid Membrane
2009
Dissipative particle dynamics study of spontaneous vesicle formation of amphiphilic molecules
2002
The surface constraint all atom model provides size independent results in calculations of hydration free energies
1998 StandoutNobel
Nanophase segregation and water dynamics in hydrated Nafion: Molecular modeling and experimental validation
2008
“Water-free” computer model for fluid bilayer membranes
2003
Transport in Proton Conductors for Fuel-Cell Applications: Simulations, Elementary Reactions, and Phenomenology
2004 Standout
Monte Carlo study of associative polymer networks. I. Equation of state
1994
The bending rigidity of an amphiphilic bilayer from equilibrium and nonequilibrium molecular dynamics
2003
Computer Simulation of Liquids
2017 Standout
Effect of Sheet Distance on the Optical Properties of Vanadate Nanotubes
2004 StandoutNobel
Metal-insulator transitions
1998 Standout
Femtosecond reaction dynamics in the gas-to-liquid transition region: Observation of a three-phase density dependence
1996 StandoutNobel
Dissipative Particle Dynamics (DPD): An Overview and Recent Developments
2014
Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models
2000 Standout
Mesoscale Modeling of Hydrated Morphologies of 3M Perfluorosulfonic Acid-Based Fuel Cell Electrolytes
2010
Tailored Porous Materials
1999 StandoutNobel
Keeping the shape but changing the charges: A simulation study of urea and its iso-steric analogs
1996 StandoutNobel
New Insights into Perfluorinated Sulfonic-Acid Ionomers
2017 Standout
Equilibrium structure and lateral stress distribution of amphiphilic bilayers from dissipative particle dynamics simulations
2002
Phase Behavior and Induced Interdigitation in Bilayers Studied with Dissipative Particle Dynamics
2003
Pore morphologies and diffusion within hydrated polyelectrolyte membranes: Homogeneous vs heterogeneous and random side chain attachment
2013
Mesoscopic models of biological membranes
2006
Prediction of adsorption of xenon in zeolite NaA with molecular density functional theory
1995
X-ray photoelectron and Auger spectroscopy study of some vanadium oxides
1979
Reversible multiple time scale molecular dynamics
1992 Standout
A comparative study of the hydrated morphologies of perfluorosulfonic acid fuel cell membranes with mesoscopic simulations
2008
A Computer Simulation Study of the Mesoscopic Structure of the Polyelectrolyte Membrane Nafion
2003
Constant pressure molecular dynamics simulation: The Langevin piston method
1995 Standout
Coarse Grained Model for Semiquantitative Lipid Simulations
2003 Standout
A Topographic View of Supercooled Liquids and Glass Formation
1995 StandoutScience
Electronic properties of CdSe nanocrystals in the absence and presence of a dielectric medium
1999 StandoutNobel
How Hydrophobic Buckminsterfullerene Affects Surrounding Water Structure
2008 StandoutNobel
Can such Long Time Steps Really be used in Dissipative Particle Dynamics Simulations?
2004
Detailed Hydration Maps of Benzene and Cyclohexane Reveal Distinct Water Structures
2004 StandoutNobel
Solvent-free simulations of fluid membrane bilayers
2003
Density-functional theory for inhomogeneous fluids: Adsorption of binary mixtures
1991
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
2013 Standout
Polydopamine and Its Derivative Materials: Synthesis and Promising Applications in Energy, Environmental, and Biomedical Fields
2014 Standout
Mesoscale Simulation of Proton Transport in Proton Exchange Membranes
2012
Water transport in polymer electrolyte membrane fuel cells
2010
Configurational Temperature in Membrane Simulations Using Dissipative Particle Dynamics
2005
Constant pressure molecular dynamics algorithms
1994 Standout
Artifacts in dynamical simulations of coarse-grained model lipid bilayers
2005
Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation
1997 Standout
Hydrogen-bond kinetics in liquid water
1996 StandoutNature
Electronic Structures of Ti and V Oxides: Calculation of Valence Photoemission and Bremsstrahlung Isochromat Spectra
1993
The MARTINI Force Field: Coarse Grained Model for Biomolecular Simulations
2007 Standout
Resolving surface chemical states in XPS analysis of first row transition metals, oxides and hydroxides: Cr, Mn, Fe, Co and Ni
2010 Standout
Canonical sampling through velocity rescaling
2007 Standout
Coarse‐grained models and collective phenomena in membranes: Computer simulation of membrane fusion
2003
Quantum-Size Effects on the Pressure-Induced Direct-to-Indirect Band-Gap Transition in InP Quantum Dots
1998
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
2015 Standout
A reactive potential for hydrocarbons with intermolecular interactions
2000 Standout
The SIESTA method forab initioorder-Nmaterials simulation
2002 Standout
Harnessing Janus Nanoparticles to Create Controllable Pores in Membranes
2008
Vacuum-ultraviolet reflectance and photoemission study of the metal-insulator phase transitions inVO 2 V 6 O 13 V 2 O 3
1990
Modeling gas permeation through membranes by kinetic Monte Carlo: Applications to H2, O2, and N2 in hydrated Nafion®
2011
Quantum Mechanical Continuum Solvation Models
2005 Standout
Cellular uptake of nanoparticles: journey inside the cell
2017 Standout
Fast Parallel Algorithms for Short-Range Molecular Dynamics
1995 Standout
A systematic method to derive force fields for coarse-grained simulations of phospholipids
2006
Nanoparticles Adsorbed at the Water/Oil Interface: Coverage and Composition Effects on Structure and Diffusion
2013
Modeling flexible amphiphilic bilayers: A solvent-free off-lattice Monte Carlo study
2005
Computational modeling and simulation of nanoparticle self-assembly in polymeric systems: Structures, properties and external field effects
2012
A grand canonical Monte Carlo study of Lennard-Jones mixtures in slit shaped pores
1993
Melting, freezing and colloidal suspensions
1994
Electronic structure of studied by x-ray photoelectron and x-ray emission spectroscopies
1998
Calibration and Testing of a Water Model for Simulation of the Molecular Dynamics of Proteins and Nucleic Acids in Solution
1997 StandoutNobel
On the energetics of translocon-assisted insertion of charged transmembrane helices into membranes
2010 StandoutNobel
Self-Assembly of Colloidal Nanocrystals: From Intricate Structures to Functional Materials
2016 Standout
Simulating the Effect of DNA Polymerase Mutations on Transition-State Energetics and Fidelity: Evaluating Amino Acid Group Contribution and Allosteric Coupling for Ionized Residues in Human Pol β
2006 StandoutNobel
A smooth particle mesh Ewald method
1995 Standout
Works of R. de Groot being referenced
Electrostatic interactions in dissipative particle dynamics—simulation of polyelectrolytes and anionic surfactants
2003
Mesoscopic Simulation of Cell Membrane Damage, Morphology Change and Rupture by Nonionic Surfactants
2001
The direct correlation function in hard sphere fluids
1987
Molecular model of fused salts near an electrode
1988
Renormalized density-functional theory for inhomogeneous liquids
1987
Phase behavior of monomeric mixtures and polymer solutions with soft interaction potentials
2001
Electronic structure of filled tetrahedral semiconductors
1985
Cluster calculations of the electronic d-states in VO2
1975
Density-functional theory for inhomogeneous electrolytes
1988
Density functional models for inhomogeneous hard sphere fluids
1987