Citation Impact
Citing Papers
Atomic-Level Characterization of the Structural Dynamics of Proteins
2010 StandoutScienceNobel
A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations
2003 Standout
Soft corrugated channel with synergistic exclusive discrimination gating for CO2 recognition in gas mixture
2023 StandoutNobel
Application of nonlinear dimensionality reduction to characterize the conformational landscape of small peptides
2009
Dynamic personalities of proteins
2007 StandoutNature
Comprehensive Evaluation of Protein Structure Alignment Methods: Scoring by Geometric Measures
2005 StandoutNobel
QM/MM Methods for Biomolecular Systems
2009 Standout
Action-Derived Molecular Dynamics in the Study of Rare Events
2001
Multiscale modeling of biological functions
2011 StandoutNobel
Exploring the role of large conformational changes in the fidelity of DNA polymerase β
2007 StandoutNobel
Phage-encoded combinatorial chemical libraries based on bicyclic peptides
2009 StandoutNobel
Head‐to‐Tail Peptide Cyclodimerization by Copper‐Catalyzed Azide–Alkyne Cycloaddition
2005
Can Morphing Methods Predict Intermediate Structures?
2008 StandoutNobel
Protein folding and misfolding
2003 StandoutNature
Long Time Molecular Dynamics for Enhanced Conformational Sampling in Biomolecular Systems
2004
Scalable molecular dynamics with NAMD
2005 Standout
Visualizing protein conformational changes on a personal computer – alpha carbon pseudo bonding as a constraint for interpolation in internal coordinate space
2001
Correct and incorrect nucleotide incorporation pathways in DNA polymerase β
2006
Lead discovery using molecular docking
2002
Nucleic acids: theory and computer simulation, Y2K
2000
Exploring the origin of the ion selectivity of the KcsA potassium channel
2003 StandoutNobel
At the dawn of the 21st century: Is dynamics the missing link for understanding enzyme catalysis?
2009 StandoutNobel
Organic Azides: An Exploding Diversity of a Unique Class of Compounds
2005 Standout
Long-timescale simulation methods
2005
Probing Protein Fold Space with a Simplified Model
2007 StandoutNobel
ROSETTALIGAND: Protein–small molecule docking with full side‐chain flexibility
2006 StandoutNobel
Efficient Generation of Feasible Pathways for Protein Conformational Transitions
2002
Transition-Path Theory and Path-Finding Algorithms for the Study of Rare Events
2008
Over One Hundred Peptide-Activated G Protein-Coupled Receptors Recognize Ligands with Turn Structure
2005
Discovering Mountain Passes via Torchlight: Methods for the Definition of Reaction Coordinates and Pathways in Complex Macromolecular Reactions
2013
Dielectric relaxation in solids
1999 Standout
Blue Moon Approach to Rare Events
2004
Solvent Structure, Dynamics, and Ion Mobility in Aqueous Solutions at 25 °C
1998 Standout
Dynamical Contributions to Enzyme Catalysis: Critical Tests of A Popular Hypothesis
2006 StandoutNobel
String method for the study of rare events
2002
Computer Simulation of Liquids
2017 Standout
Escaping free-energy minima
2002 Standout
Energetics and Dynamics of Enzymatic Reactions
2001 StandoutNobel
Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models
2000 Standout
Solute Solvent Dynamics and Energetics in Enzyme Catalysis: The SN2 Reaction of Dehalogenase as a General Benchmark
2004 StandoutNobel
Steady state model for polymer light-emitting electrochemical cells
1997
Polymer Light-Emitting Electrochemical Cells: A Theoretical Study of Junction Formation under Steady-State Conditions
1998 StandoutNobel
Simulation of protein folding by reaction path annealing
2001
Complex admittance measurements of polymer light-emitting electrochemical cells: Ionic and electronic contributions
1998 StandoutNobel
Thermodynamics and Kinetics of Folding of Two Model Peptides Investigated by Molecular Dynamics Simulations
2000
Nonreactive Dynamics in Solution: The Emerging Molecular View of Solvation Dynamics and Vibrational Relaxation
1996
Structural and Co-conformational Effects of Alkyne-Derived Subunits in Charged Donor−Acceptor [2]Catenanes
2007 StandoutNobel
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
1999 Standout
Paradynamics: An Effective and Reliable Model for Ab Initio QM/MM Free-Energy Calculations and Related Tasks
2011 StandoutNobel
Water Stability and Adsorption in Metal–Organic Frameworks
2014 Standout
Landscape approaches for determining the ensemble of folding transition states: Success and failure hinge on the degree of frustration
2000
Self-guided enhanced sampling methods for thermodynamic averages
2003
Polymer light-emitting electrochemical cells with frozen p-i-n junction
1997 StandoutNobel
Chemically Optimizing Operational Efficiency of Molecular Rotary Motors
2014 StandoutNobel
Unit-vector RMS (URMS) as a tool to analyze molecular dynamics trajectories
1999
Modeling and design by hierarchical natural moves
2012 StandoutNobel
Enhanced Photocatalysis by Au Nanoparticle Loading on TiO2 Single-Crystal (001) and (110) Facets
2013
Evaluation and Optimization of Discrete State Models of Protein Folding
2012 StandoutNobel
Coarse-Grained (Multiscale) Simulations in Studies of Biophysical and Chemical Systems
2011 StandoutNobel
CHROMOPHORE-SOLVENT DYNAMICS
1996
Addressing Open Questions about Phosphate Hydrolysis Pathways by Careful Free Energy Mapping
2012 StandoutNobel
TRANSITION PATH SAMPLING : Throwing Ropes Over Rough Mountain Passes, in the Dark
2002 Standout
Molecular Dynamics: Survey of Methods for Simulating the Activity of Proteins
2006
Investigating rare events by transition interface sampling
2004
Through the Channel and around the Channel: Validating and Comparing Microscopic Approaches for the Evaluation of Free Energy Profiles for Ion Penetration through Ion Channels
2005 StandoutNobel
ac impedance of polymer light-emitting electrochemical cells and light-emitting diodes: a comparative study
1998 StandoutNobel
Direct observation of junction formation in polymer light-emitting electrochemical cells
1999 StandoutNobel
Progress in Ab Initio QM/MM Free-Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of pKa, Redox Reactions and Solvation Free Energies
2008 StandoutNobel
Head‐to‐Tail Peptide Cyclodimerization by Copper‐Catalyzed Azide–Alkyne Cycloaddition
2005
Finite Temperature String Method for the Study of Rare Events
2005
Dielectric Relaxation and Solvation Dynamics of Water in Complex Chemical and Biological Systems
2000
FROM FOLDING THEORIES TO FOLDING PROTEINS : A Review and Assessment of Simulation Studies of Protein Folding and Unfolding
2001
Applications of 2D MXenes in energy conversion and storage systems
2018 Standout
MBO(N)D: A multibody method for long-time molecular dynamics simulations
2000
Toward Accurate Microscopic Calculation of Solvation Entropies: Extending the Restraint Release Approach to Studies of Solvation Effects
2009 StandoutNobel
Chapter 4. Dispersive Kinetics
1998
Quantum Mechanical Continuum Solvation Models
2005 Standout
Translation of DNA into a Library of 13 000 Synthetic Small-Molecule Macrocycles Suitable for in Vitro Selection
2008
Chemistry and Biology Of Multicomponent Reactions
2012 Standout
Reconstructing Potentials of Mean Force through Time Series Analysis of Steered Molecular Dynamics Simulations
1999
Cu-Catalyzed Azide−Alkyne Cycloaddition
2008 StandoutNobel
The random walk's guide to anomalous diffusion: a fractional dynamics approach
2000 Standout
Metadynamics as a Tool for Exploring Free Energy Landscapes of Chemical Reactions
2005
Dynamic reaction paths and rates through importance-sampled stochastic dynamics
1999
Renormalizing SMD: The Renormalization Approach and Its Use in Long Time Simulations and Accelerated PMF Calculations of Macromolecules
2010 StandoutNobel
Capacitance measurements of junction formation and structure in polymer light-emitting electrochemical cells
1998
Proton-Coupled Electron Transfer
2012 Standout
Works of Roberto Olender being referenced
A bicyclic and hsst2 selective somatostatin analogue: design, synthesis, conformational analysis and binding
2001
Study on the cyclization tendency of backbone cyclic tetrapeptides
2000
Solvation dynamics in dielectric solvents with restricted molecular rotations: Polyethers
1995
A Fast Algorithm for Searching for Molecules Containing a Pharmacophore in Very Large Virtual Combinatorial Libraries
2001
Stochastic Path Approach to Compute Atomically Detailed Trajectories: Application to the Folding of C Peptide
1999
Lattice theory of solvation and dissociation in macromolecular fluids. I. Mean field approximation
1994
Yet another look at the steepest descent path
1997
Calculation of classical trajectories with a very large time step: Formalism and numerical examples
1996