Citation Impact
Citing Papers
Microenvironmental modulation breaks intrinsic pH limitations of nanozymes to boost their activities
2024 StandoutNobel
“On Water”: Unique Reactivity of Organic Compounds in Aqueous Suspension
2005 StandoutNobel
GROMACS: Fast, flexible, and free
2005 Standout
Atomic packing and short-to-medium-range order in metallic glasses
2006 StandoutNature
Folding of a model three-helix bundle protein: a thermodynamic and kinetic analysis 1 1Edited by A. R. Fersht
1999 StandoutNobel
The Amber biomolecular simulation programs
2005 Standout
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
Comparison of scalable fast methods for long-range interactions
2013
Fractal free energy landscapes in structural glasses
2014 StandoutNobel
Protein–Protein Docking with Simultaneous Optimization of Rigid-body Displacement and Side-chain Conformations
2003 StandoutNobel
Proton Transport through Water-Filled Carbon Nanotubes
2003
Generalized Fluctuation-Dissipation Relation and Effective Temperature Upon Heating a Deeply Supercooled Liquid
2013 StandoutNobel
Torsion angle dynamics for NMR structure calculation with the new program Dyana
1997 StandoutNobel
Nonpolar solutes enhance water structure within hydration shells while reducing interactions between them
2005 StandoutNobel
Specific Ion Effects at the Air/Water Interface
2005 Standout
Ionic-Liquid-Mediated Extraction and Separation Processes for Bioactive Compounds: Past, Present, and Future Trends
2017 Standout
The surface constraint all atom model provides size independent results in calculations of hydration free energies
1998 StandoutNobel
Glass transition dynamics and conductivity scaling in ionic deep eutectic solvents: The case of (acetamide + lithium nitrate/sodium thiocyanate) melts
2015
Transport in Proton Conductors for Fuel-Cell Applications: Simulations, Elementary Reactions, and Phenomenology
2004 Standout
Structure and Nanostructure in Ionic Liquids
2015 Standout
Computer Simulation of Liquids
2017 Standout
Ewald summation method with electrostatic layer correction for interactions of point dipoles in slab geometry
2004
Femtosecond reaction dynamics in the gas-to-liquid transition region: Observation of a three-phase density dependence
1996 StandoutNobel
Water as an Active Constituent in Cell Biology
2007 Standout
Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models
2000 Standout
Tailored Porous Materials
1999 StandoutNobel
Keeping the shape but changing the charges: A simulation study of urea and its iso-steric analogs
1996 StandoutNobel
Protic Ionic Liquids: Evolving Structure–Property Relationships and Expanding Applications
2015
Predicting the density-scaling exponent of a glass-forming liquid from Prigogine–Defay ratio measurements
2011
Rotational Relaxation in ortho-Terphenyl: Using Atomistic Simulations to Bridge Theory and Experiment
2013 StandoutNobel
Reversible multiple time scale molecular dynamics
1992 Standout
A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions
2000 Standout
Constant pressure molecular dynamics simulation: The Langevin piston method
1995 Standout
Many-Body Nature of Relaxation Processes in Glass-Forming Systems
2012
How Hydrophobic Buckminsterfullerene Affects Surrounding Water Structure
2008 StandoutNobel
Molecular Dynamics of PEGylated Multifunctional Polyhedral Oligomeric Silsesquioxane
2009
Detailed Hydration Maps of Benzene and Cyclohexane Reveal Distinct Water Structures
2004 StandoutNobel
Broadband dielectric spectroscopy and aging of glass formers
2007
Deep Eutectic Solvents: A Review of Fundamentals and Applications
2020 Standout
Remarkable patterns of surface water ordering around polarized buckminsterfullerene
2011 StandoutNobel
Constant pressure molecular dynamics algorithms
1994 Standout
Perspective: Supercooled liquids and glasses
2012
Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation
1997 Standout
Hydrogen-bond kinetics in liquid water
1996 StandoutNature
Recent Developments in the Chemistry of Cubic Polyhedral Oligosilsesquioxanes
2010 Standout
Dynamics and Proton Conduction of Heterogeneously Confined Imidazole in Porous Coordination Polymers
2022 StandoutNobel
Evolution of the dynamic susceptibility in molecular glass formers: Results from light scattering, dielectric spectroscopy, and NMR
2013
Canonical sampling through velocity rescaling
2007 Standout
Sodium-ion batteries: present and future
2017 Standout
A reactive potential for hydrocarbons with intermolecular interactions
2000 Standout
The SIESTA method forab initioorder-Nmaterials simulation
2002 Standout
Quantum Mechanical Continuum Solvation Models
2005 Standout
Spotlight on ionic liquids
2010
Fast Parallel Algorithms for Short-Range Molecular Dynamics
1995 Standout
On the Ewald summation of Gaussian charges for the simulation of metallic surfaces
2010
Local structures of ionic liquids in the presence of gold under high pressures
2013
Calibration and Testing of a Water Model for Simulation of the Molecular Dynamics of Proteins and Nucleic Acids in Solution
1997 StandoutNobel
COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds
1998 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
Hydrophobic Effects and Modeling of Biophysical Aqueous Solution Interfaces
2002
Van der Waals density functional study of the energetics of alkali metal intercalation in graphite
2013
A smooth particle mesh Ewald method
1995 Standout
Works of A. Grzybowski being referenced
Electrostatic interactions in computer simulations of a three-dimensional system periodic in two directions: Ewald-type summation
2002
Ewald summation of electrostatic interactions in molecular dynamics of a three-dimensional system with periodicity in two directions
2000
Molecular Dynamics and Physical Stability of Amorphous Anti-Inflammatory Drug: Celecoxib
2010
High pressure study of molecular dynamics of protic ionic liquid lidocaine hydrochloride
2012
Dielectric secondary relaxations in polypropylene glycols
2006
Dynamic Crossover of Water Relaxation in Aqueous Mixtures: Effect of Pressure
2010
Lekner type method for summing the dipole—dipole interactions in computer simulations of one- and two-dimensionally periodic systems
2003
Study of molecular dynamics of the pharmaceutically important protic ionic liquid verapamil hydrochloride. II. Test of entropic models
2010
Computationally efficient method for summing interactions of point dipoles in three dimensions with two-dimensional periodicity
2002
Communication: Relationships between Intermolecular potential, thermodynamics, and dynamic scaling in viscous systems
2010
Molecular Dynamics of Glass-Forming Systems
2011
Electrostatic interactions in molecular dynamics simulation of a three-dimensional system with periodicity in one direction
2002
Study of molecular dynamics of pharmaceutically important protic ionic liquid-verapamil hydrochloride. I. Test of thermodynamic scaling
2009