Citation Impact

Citing Papers

Innovative scattering analysis shows that hydrophobic disordered proteins are expanded in water
2017 StandoutScienceNobel
Multiscale modelling of mesoscopic phenomena triggered by quantum events: light-driven azo-materials and beyond
2011
GROMACS: Fast, flexible, and free
2005 Standout
Atomic packing and short-to-medium-range order in metallic glasses
2006 StandoutNature
Hydrophobic mismatch drives self-organization of designer proteins into synthetic membranes
2024 StandoutNobel
Folding of a model three-helix bundle protein: a thermodynamic and kinetic analysis 1 1Edited by A. R. Fersht
1999 StandoutNobel
Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir
2012
Coarse-grained molecular models of water: a review
2012
Coarse-Graining in Polymer Simulation: From the Atomistic to the Mesoscopic Scale and Back
2002
Thermal properties of graphene and nanostructured carbon materials
2011 Standout
Systematic coarse-graining of molecular models by the Newton inversion method
2009
Relaxation time prediction for a light switchable peptide by molecular dynamics
2010
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
Photoisomerization in different classes of azobenzene
2011 Standout
Emerging applications of stimuli-responsive polymer materials
2010 Standout
Protein–Protein Docking with Simultaneous Optimization of Rigid-body Displacement and Side-chain Conformations
2003 StandoutNobel
Torsion angle dynamics for NMR structure calculation with the new program Dyana
1997 StandoutNobel
Design and Preparation of Porous Polymers
2012 Standout
Aggregation of POSS Monomers in Liquid Hexane:  A Molecular-Simulation Study
2007
The surface constraint all atom model provides size independent results in calculations of hydration free energies
1998 StandoutNobel
Consistent View of Polypeptide Chain Expansion in Chemical Denaturants from Multiple Experimental Methods
2016
A simple molecular mechanics potential for μm scale graphene simulations from the adaptive force matching method
2011
MCCCS Towhee: a tool for Monte Carlo molecular simulation
2013
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
Multiscale Simulation of Soft Matter: From Scale Bridging to Adaptive Resolution
2007
Phase Diagrams of Self-Assembled Mono-Tethered Nanospheres from Molecular Simulation and Comparison to Surfactants
2005
Femtosecond reaction dynamics in the gas-to-liquid transition region: Observation of a three-phase density dependence
1996 StandoutNobel
Calculating Structures and Free Energies of Complex Molecules:  Combining Molecular Mechanics and Continuum Models
2000 Standout
Polymer/Silica Nanocomposites: Preparation, Characterization, Properties, and Applications
2008 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
Thermodiffusion of interacting colloids. I. A statistical thermodynamics approach
2004
The multiscale coarse-graining method. VI. Implementation of three-body coarse-grained potentials
2010
Thermal Conductivities of Molecular Liquids by Reverse Nonequilibrium Molecular Dynamics
2005
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
2006 Standout
Reversible multiple time scale molecular dynamics
1992 Standout
IBIsCO: A molecular dynamics simulation package for coarse‐grained simulation
2011
Improved Parameters for the Martini Coarse-Grained Protein Force Field
2012
Constant pressure molecular dynamics simulation: The Langevin piston method
1995 Standout
Versatile Object-Oriented Toolkit for Coarse-Graining Applications
2009
How Hydrophobic Buckminsterfullerene Affects Surrounding Water Structure
2008 StandoutNobel
The shear viscosity of molecular fluids: A calculation by reverse nonequilibrium molecular dynamics
2002
Generic coarse-grained model for protein folding and aggregation
2009
Detailed Hydration Maps of Benzene and Cyclohexane Reveal Distinct Water Structures
2004 StandoutNobel
Coarse-Grained Molecular Dynamics Simulations of the Energetics of Helix Insertion into a Lipid Bilayer
2008
Why molecules move along a temperature gradient
2006 Standout
Template Synthesis of Stimuli-Responsive Nanoporous Polymer-Based Spheres via Sequential Assembly
2006
Reversible Photocontrol of Biological Systems by the Incorporation of Molecular Photoswitches
2013 StandoutNobel
Constant pressure molecular dynamics algorithms
1994 Standout
The multiscale challenge for biomolecular systems: coarse-grained modeling
2006
Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation
1997 Standout
A Coarse-Grained Model for Polyphenylene Dendrimers:  Switching and Backfolding of Planar Three-Fold Core Dendrimers
2007
Hydrogen-bond kinetics in liquid water
1996 StandoutNature
Recent Developments in the Chemistry of Cubic Polyhedral Oligosilsesquioxanes
2010 Standout
Polarizable force fields for molecular dynamics simulations of biomolecules
2015
Reverse Nonequilibrium Molecular Dynamics Calculation of the Soret Coefficient in Liquid Heptane/Benzene Mixtures
2008
Canonical sampling through velocity rescaling
2007 Standout
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
2015 Standout
Organic−Inorganic Nanoassembly Based on Complexation of Cationic Silica Nanoparticles and Weak Anionic Polyelectrolytes in Aqueous and Alcohol Media
2004
Core/Shell Nanoparticles: Classes, Properties, Synthesis Mechanisms, Characterization, and Applications
2011 Standout
A reactive potential for hydrocarbons with intermolecular interactions
2000 Standout
The SIESTA method forab initioorder-Nmaterials simulation
2002 Standout
Template Synthesis of Porous Polypyrrole in 3D Coordination Nanochannels
2009 StandoutNobel
Infiltration of Macromolecules into Nanoporous Silica Particles
2007
Quantum Mechanical Continuum Solvation Models
2005 Standout
Dendrimers Designed for Functions: From Physical, Photophysical, and Supramolecular Properties to Applications in Sensing, Catalysis, Molecular Electronics, Photonics, and Nanomedicine
2010 Standout
Fast Parallel Algorithms for Short-Range Molecular Dynamics
1995 Standout
Hamiltonian Adaptive Resolution Simulation for Molecular Liquids
2013
Controlled Clustering and Enhanced Stability of Polymer-Coated Magnetic Nanoparticles
2005
Adaptive resolution molecular-dynamics simulation: Changing the degrees of freedom on the fly
2005
A New Dimension for Coordination Polymers and Metal–Organic Frameworks: Towards Functional Glasses and Liquids
2019 StandoutNobel
Multiscale Coarse-Graining of Ionic Liquids
2005
Progress in computer simulations of liquid crystals
2005
Structure Formation of Toluene around C60: Implementation of the Adaptive Resolution Scheme (AdResS) into GROMACS
2012
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
Multiscale coarse graining of liquid-state systems
2005
A smooth particle mesh Ewald method
1995 Standout

Works of Dirk Reith being referenced

Deriving effective mesoscale potentials from atomistic simulations
2003
On the Nature of Interactions between Ionic Liquids and Small Amino‐Acid‐Based Biomolecules
2013
Comparison of Force Fields on the Basis of Various Model Approaches—How To Design the Best Model for the [CnMIM][NTf2] Family of Ionic Liquids
2013
How does the chain extension of poly (acrylic acid) scale in aqueous solution? A combined study with light scattering and computer simulation
2002
The influence of interaction details on the thermal diffusion in binary Lennard-Jones liquids
2001
CG-OPT: A software package for automatic force field design
2002
An improved dimethyl sulfoxide force field for molecular dynamics simulations
2003
Comparison Between Coarse‐Graining Models for Polymer Systems: Two Mapping Schemes for Polystyrene
2007
Multi-objective optimisation on the basis of random models for ethylene oxide
2010
Corrections to scaling in the hydrodynamic properties of dilute polymer solutions
2002
Economic simplex optimization for broad range property prediction: Strengths and weaknesses of an automated approach for tailoring of parameters
2008
Cause and effect reversed in non-equilibrium molecular dynamics: an easy route to transport coefficients
1999
On the nature of thermal diffusion in binary Lennard-Jones liquids
2000
Automated parameterization of intermolecular pair potentials using global optimization techniques
2014
Coarse graining of nonbonded inter-particle potentials using automatic simplex optimization to fit structural properties
2000
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