Citation Impact
Citing Papers
Direct observation of thymine dimer repair in DNA by photolyase
2005 StandoutNobel
Mapping hydration dynamics around a protein surface
2007
Loss of conformational entropy in protein folding calculated using realistic ensembles and its implications for NMR-based calculations
2014 StandoutNobel
Pathway and mechanism of drug binding to G-protein-coupled receptors
2011
Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations
2011
miR-212-5p attenuates ferroptotic neuronal death after traumatic brain injury by targeting Ptgs2
2019
Critical Dipole Length for the Wetting Transition Due to Collective Water-dipoles Interactions
2012
Computational design of soluble and functional membrane protein analogues
2024 StandoutNatureNobel
Novel scoring function for modeling structures of oligomers of transmembrane α‐helices
2004
Ferroptosis: molecular mechanisms and health implications
2020 Standout
Scoring functions for protein–protein interactions
2013 StandoutNobel
A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force‐field parameter sets 53A5 and 53A6
2004 Standout
“On Water”: Unique Reactivity of Organic Compounds in Aqueous Suspension
2005 StandoutNobel
High-resolution crystal structure of human protease-activated receptor 1
2012 StandoutNatureNobel
Multipass membrane protein structure prediction using Rosetta
2005 StandoutNobel
Hypoxia-Induced MicroRNA-212/132 Alter Blood-Brain Barrier Integrity Through Inhibition of Tight Junction-Associated Proteins in Human and Mouse Brain Microvascular Endothelial Cells
2019
Reorganization in apo‐ and holo‐β‐lactoglobulin upon protonation of Glu89: Molecular dynamics and pKa calculations
2004
Molecular Dynamics Simulation for All
2018 Standout
Insight from molecular modelling: does the polymer side chain length matter for transport properties of perfluorosulfonic acid membranes?
2012
Molecular docking as a popular tool in drug design, an in silico travel
2016
Simulating electrostatic energies in proteins: Perspectives and some recent studies of pKas, redox, and other crucial functional properties
2011 StandoutNobel
Solvated protein–DNA docking using HADDOCK
2013
Complete wetting of graphene by biological lipids
2016
Water molecules in DNA recognition II: a molecular dynamics view of the structure and hydration of the trp operator 1 1Edited by B. Honig
1998
Metazoan MicroRNAs
2018 Standout
The HADDOCK2.2 Web Server: User-Friendly Integrative Modeling of Biomolecular Complexes
2015 Standout
Spliceosomal immunophilins
2008
Oncogenic Mutations Counteract Intrinsic Disorder in the EGFR Kinase and Promote Receptor Dimerization
2012 StandoutNobel
Mir-132/212 is required for maturation of binocular matching of orientation preference and depth perception
2017
Kinetic Rate Constant Prediction Supports the Conformational Selection Mechanism of Protein Binding
2012
Residence Times of Water Molecules in the Hydration Sites of Myoglobin
2000
Do we underestimate the importance of water in cell biology?
2006 Standout
Insights into RNA Biology from an Atlas of Mammalian mRNA-Binding Proteins
2012 Standout
The Hydrophobic Effect Revisited—Studies with Supramolecular Complexes Imply High‐Energy Water as a Noncovalent Driving Force
2014
On the binding affinity of macromolecular interactions: daring to ask why proteins interact
2012
Structure, dynamics, and energetics of water at the surface of a small globular protein: A molecular dynamics simulation
2003
Structure and dynamics of the M3 muscarinic acetylcholine receptor
2012 StandoutNatureNobel
At the dawn of the 21st century: Is dynamics the missing link for understanding enzyme catalysis?
2009 StandoutNobel
Deregulation of neuronal miRNAs induced by amyloid-β or TAU pathology
2018
Computational design of ligand-binding proteins with high affinity and selectivity
2013 StandoutNatureNobel
CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals
2021 Standout
The antimicrobial activity of nanoparticles: present situation and prospects for the future
2017 Standout
Efficient Determination of Protein–Protein Standard Binding Free Energies from First Principles
2013
High Proton Conduction at above 100 °C Mediated by Hydrogen Bonding in a Lanthanide Metal–Organic Framework
2014
Green Synthetic Fuels: Renewable Routes for the Conversion of Non-Fossil Feedstocks into Gaseous Fuels and Their End Uses
2020
Rapid Sampling of Hydrogen Bond Networks for Computational Protein Design
2018 StandoutNobel
Age-Associated mRNA and miRNA Expression Changes in the Blood-Brain Barrier
2019 StandoutNobel
Exploring the nature of the translocon-assisted protein insertion
2012 StandoutNobel
Dynamical Contributions to Enzyme Catalysis: Critical Tests of A Popular Hypothesis
2006 StandoutNobel
Choline Chloride as a Nano‐Crowder Protects HP‐36 from Urea‐Induced Denaturation: Insights from Solvent Dynamics and Protein‐Solvent Interactions
2020
X-ray Absorption Spectroscopy of the Zinc-Binding Sites in the Class B2 Metallo-β-lactamase ImiS from Aeromonas veronii bv. sobria
2006
Bio-Inspired Strategies for Anti-Icing
2014 Standout
Proline Rich Motifs as Drug Targets in Immune Mediated Disorders
2012
Hydration Dynamics and Time Scales of Coupled Water−Protein Fluctuations
2007
Supramolecular Hydrogelators and Hydrogels: From Soft Matter to Molecular Biomaterials
2015 Standout
Water as an Active Constituent in Cell Biology
2007 Standout
Updated Functional Classification of β-Lactamases
2009 Standout
Carbapenemases: the Versatile β-Lactamases
2007 Standout
Femtosecond Dynamics of Flavin Cofactor in DNA Photolyase: Radical Reduction, Local Solvation, and Charge Recombination
2005 StandoutNobel
Solute Solvent Dynamics and Energetics in Enzyme Catalysis: The SN2 Reaction of Dehalogenase as a General Benchmark
2004 StandoutNobel
New Insights into Perfluorinated Sulfonic-Acid Ionomers
2017 Standout
Solvent Effects on Kinetic Mechanisms of Self-Assembly by Peptide Amphiphiles via Molecular Dynamics Simulations
2014
Cucurbituril-Based Molecular Recognition
2015 Standout
Probing the Structures of Hydrated Nafion in Different Morphologies Using Temperature-Accelerated Molecular Dynamics Simulations
2012
Ultrafast solvation dynamics at binding and active sites of photolyases
2010 StandoutNobel
Pore morphologies and diffusion within hydrated polyelectrolyte membranes: Homogeneous vs heterogeneous and random side chain attachment
2013
Ligand-Binding Proteins: Their Potential for Application in Systems for Controlled Delivery and Uptake of Ligands
2000
Femtosecond Dynamics of DNA Photolyase: Energy Transfer of Antenna Initiation and Electron Transfer of Cofactor Reduction
2004 StandoutNobel
Biological Water: Femtosecond Dynamics of Macromolecular Hydration
2002 Nobel
Pathway and Mechanism of Drug Binding to G-Protein-Coupled Receptors
2012
Applications of water stable metal–organic frameworks
2016 Standout
NWChem: Past, present, and future
2022
Free-energy cost for translocon-assisted insertion of membrane proteins
2011
Hydration at the surface of the protein Monellin: Dynamics with femtosecond resolution
2002 Nobel
Classification of Intrinsically Disordered Regions and Proteins
2014 Standout
Molecular Docking: Shifting Paradigms in Drug Discovery
2019 Standout
Elucidating Water Transport Mechanisms in Nafion Thin Films
2014
Evaluation and Optimization of Discrete State Models of Protein Folding
2012 StandoutNobel
Deep Eutectic Solvents: A Review of Fundamentals and Applications
2020 Standout
Molecular Dynamics Simulations of Water Sorption in a Perfluorosulfonic Acid Membrane
2013
Dynamics of Water in Biological Recognition
2004 Nobel
Short Linear Motifs: Ubiquitous and Functionally Diverse Protein Interaction Modules Directing Cell Regulation
2014
Mesoscale Simulation of Proton Transport in Proton Exchange Membranes
2012
DNA origami protection and molecular interfacing through engineered sequence-defined peptoids
2020 StandoutNobel
Viscosity of Nafion Oligomers as a Function of Hydration and Counterion Type: A Molecular Dynamics Study
2014
Constant-pH Molecular Dynamics Simulations Reveal a β-Rich Form of the Human Prion Protein
2010
Artificial Molecular Machines
2015 Standout
Ultrafast Dynamics of Flavins in Five Redox States
2008 StandoutNobel
Ab Initio Molecular Dynamics Simulation of Proton Hopping in a Model Polymer Membrane
2013
Effects of Polymer Morphology on Proton Solvation and Transport in Proton-Exchange Membranes
2012
Biological water at the protein surface: Dynamical solvation probed directly with femtosecond resolution
2002 Nobel
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
2024 Standout
Protein Hydration Dynamics and Molecular Mechanism of Coupled Water−Protein Fluctuations
2009
Dielectric Relaxation and Solvation Dynamics of Water in Complex Chemical and Biological Systems
2000
Temperature dependence of the water distribution inside a Nafion membrane in an operating polymer electrolyte fuel cell. A micro-Raman study
2011
Direct Determination of Resonance Energy Transfer in Photolyase: Structural Alignment for the Functional State
2014 StandoutNobel
Dynamics of Water near a Protein Surface
2003 Nobel
An effective Coarse‐grained model for biological simulations: Recent refinements and validations
2013 StandoutNobel
Ultrafast Dynamics and Anionic Active States of the Flavin Cofactor in Cryptochrome and Photolyase
2008 StandoutNobel
Ion Conductivity and Transport by Porous Coordination Polymers and Metal–Organic Frameworks
2013 StandoutNobel
Shape complementarity and hydrogen bond preferences in protein–protein interfaces: implications for antibody modeling and protein–protein docking
2016
Simulated Annealing of Chemical Potential: A General Procedure for Locating Bound Waters. Application to the Study of the Differential Hydration Propensities of the Major and Minor Grooves of DNA
1996
Molecular Dynamics of Water at the Protein−Solvent Interface
2002
Biomass for a sustainable bioeconomy: An overview of world biomass production and utilization
2021 Standout
Works of Wei Gu being referenced
Cyclophilin A Binds to Linear Peptide Motifs Containing a Consensus That Is Present in Many Human Proteins
2005
Molecular dynamics simulation of hydration in myoglobin
1995
Design of a Gated Molecular Proton Channel
2010
Downhill binding energy surface of the barnase–barstar complex
2010
Mechanism of Fast Peptide Recognition by SH3 Domains
2008
Adhesive water networks facilitate binding of protein interfaces
2011
Dynamical binding of proline-rich peptides to their recognition domains
2005
Molecular dynamics simulation of the unfolding of the human prion protein domain under low pH and high temperature conditions
2003
Molecular dynamics simulations of the whey protein ß-lactoglobulin
1992
Dynamic Protonation Equilibrium of Solvated Acetic Acid
2007
The miRNome of Alzheimer's disease: consistent downregulation of the miR-132/212 cluster
2016
Thermostable variants of bovine β-lactoglobulin
1994
DIFFERENT PROTONATION STATES OF THE BACILLUS CEREUS BINUCLEAR ZINC METALLO-β-LACTAMASE ACTIVE SITE STUDIED BY COMBINED QUANTUM MECHANICAL AND MOLECULAR MECHANICAL SIMULATIONS
2002
Atomistic Simulation of Water Percolation and Proton Hopping in Nafion Fuel Cell Membrane
2010
Solvation Free Energies and Transfer Free Energies for Amino Acids from Hydrophobic Solution to Water Solution from a Very Simple Residue Model
2004
Are Solvation Free Energies of Homogeneous Helical Peptides Additive?
2005
Carbon Nanotube Wins the Competitive Binding over Proline-Rich Motif Ligand on SH3 Domain
2011