Citation Impact
Citing Papers
Microenvironmental modulation breaks intrinsic pH limitations of nanozymes to boost their activities
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“On Water”: Unique Reactivity of Organic Compounds in Aqueous Suspension
2005 StandoutNobel
GROMACS: Fast, flexible, and free
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Atomic packing and short-to-medium-range order in metallic glasses
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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
Local structure correlations in plastic cyclohexane—a reverse Monte Carlo study
2013
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
Protein–Protein Docking with Simultaneous Optimization of Rigid-body Displacement and Side-chain Conformations
2003 StandoutNobel
Proton Transport through Water-Filled Carbon Nanotubes
2003
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
The surface constraint all atom model provides size independent results in calculations of hydration free energies
1998 StandoutNobel
Amphiphilic Silica Nanoparticles at the Decane−Water Interface: Insights from Atomistic Simulations
2011
Carbons and Electrolytes for Advanced Supercapacitors
2014 Standout
Luminescent Si Nanoparticles in Sol−Gel Matrices Stabilized by Amino Acids
1997
Transport in Proton Conductors for Fuel-Cell Applications: Simulations, Elementary Reactions, and Phenomenology
2004 Standout
Computer Simulation of Liquids
2017 Standout
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
Computer simulation of liquid crystals
2005
Keeping the shape but changing the charges: A simulation study of urea and its iso-steric analogs
1996 StandoutNobel
Design of New Materials for Methane Storage
2004 StandoutNobel
Photochemistry in organized and confining media: a model
1993
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
Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics
2006
Pore Size Distributions in Porous Glasses: A Computer Simulation Study
1998
Constant pressure molecular dynamics simulation: The Langevin piston method
1995 Standout
How Hydrophobic Buckminsterfullerene Affects Surrounding Water Structure
2008 StandoutNobel
Detailed Hydration Maps of Benzene and Cyclohexane Reveal Distinct Water Structures
2004 StandoutNobel
Density Functional Theory Model of Adsorption on Amorphous and Microporous Silica Materials
2006
Remarkable patterns of surface water ordering around polarized buckminsterfullerene
2011 StandoutNobel
Constant pressure molecular dynamics algorithms
1994 Standout
Capillary Condensation and Evaporation in Alumina Nanopores with Controlled Modulations
2010
Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation
1997 Standout
Hydrogen-bond kinetics in liquid water
1996 StandoutNature
Glass formation via structural fragmentation of a 2D coordination network
2015 StandoutNobel
Dynamics and Proton Conduction of Heterogeneously Confined Imidazole in Porous Coordination Polymers
2022 StandoutNobel
Recent Advances in the Liquid-Phase Syntheses of Inorganic Nanoparticles
2004 Standout
Canonical sampling through velocity rescaling
2007 Standout
3D Covalent Organic Frameworks of Interlocking 1D Square Ribbons
2018 StandoutNobel
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
Fast Parallel Algorithms for Short-Range Molecular Dynamics
1995 Standout
Engineering Metal Organic Frameworks for Heterogeneous Catalysis
2010 Standout
On the Ewald summation of Gaussian charges for the simulation of metallic surfaces
2010
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew
2004 Standout
Imaging the atomic structure of activated carbon
2008
Calibration and Testing of a Water Model for Simulation of the Molecular Dynamics of Proteins and Nucleic Acids in Solution
1997 StandoutNobel
Self-Assembly of Colloidal Nanocrystals: From Intricate Structures to Functional Materials
2016 Standout
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
Porous Anodic Aluminum Oxide: Anodization and Templated Synthesis of Functional Nanostructures
2014 Standout
A smooth particle mesh Ewald method
1995 Standout
Works of A. Bródka being referenced
Molecular dynamics simulation of liquid–solid phase transition of cyclohexane. I
1992
Ewald summation method with electrostatic layer correction for interactions of point dipoles in slab geometry
2004
Ewald summation of electrostatic interactions in molecular dynamics of a three-dimensional system with periodicity in two directions
2000
Diffusion of C60 in porous sol-gel glass
1994
Structural studies of disordered carbons by high-energy X-ray diffraction
2007
Molecular dynamics simulation study of a liquid crystal model: Gay-Berne particles with transverse dipole moments
1997
Properties of liquid acetone in silica pores: Molecular dynamics simulation
1996
Molecular dynamics simulation of liquid–plastic phase transition of cyclohexane in porous silica. II
1992
Electrostatic interactions in molecular dynamics simulation of a three-dimensional system with periodicity in one direction
2002
Molecular dynamics of SF6 in porous silica
1991