Citation Impact
Citing Papers
Confined water-mediated high proton conduction in hydrophobic channel of a synthetic nanotube
2020
Occurrence of the potent mutagens 2- nitrobenzanthrone and 3-nitrobenzanthrone in fine airborne particles
2019 Standout
Charge Delocalization in Proton Channels, I: The Aquaporin Channels and Proton Blockage
2006
Claudin‐8 modulates paracellular permeability to acidic and basic ions in MDCK II cells
2005
Structural modifications of N-arylamide oxadiazoles: Identification of N-arylpiperidine oxadiazoles as potent and selective agonists of CB2
2008
Selective Artificial Transmembrane Channels for Protons by Formation of Water Wires
2011
A Computer Simulation Study of the Hydrated Proton in a Synthetic Proton Channel
2003
Neutrophils at work
2014 Standout
Studies of Proton Translocations in Biological Systems: Simulating Proton Transport in Carbonic Anhydrase by EVB-Based Models
2004 StandoutNobel
Structural Determinants of Proton Blockage in Aquaporins
2004
What Really Prevents Proton Transport through Aquaporin? Charge Self-Energy versus Proton Wire Proposals
2003 StandoutNobel
Kinetics and Mechanism of Proton Transport across Membrane Nanopores
2006
Mechanized Silica Nanoparticles Based on Pillar[5]arenes for On‐Command Cargo Release
2013 StandoutNobel
New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
2010 Standout
Chance and design—Proton transfer in water, channels and bioenergetic proteins
2006
MOFs as proton conductors – challenges and opportunities
2014 Standout
Multiscale modeling of biological functions
2011 StandoutNobel
Theoretical investigations on the formation of nitrobenzanthrone-DNA Adducts
2011
The NOX Family of ROS-Generating NADPH Oxidases: Physiology and Pathophysiology
2007 Standout
Water Molecules and Hydrogen-Bonded Networks in Bacteriorhodopsin—Molecular Dynamics Simulations of the Ground State and the M-Intermediate
2005
Trypanosoma cruzi trans-Sialidase in Complex with a Neutralizing Antibody: Structure/Function Studies towards the Rational Design of Inhibitors
2012
Electrostatic Tuning of Permeation and Selectivity in Aquaporin Water Channels
2003
Sialic Acid Glycobiology Unveils Trypanosoma cruzi Trypomastigote Membrane Physiology
2016 StandoutNobel
Scalable molecular dynamics with NAMD
2005 Standout
Molecular dynamics study of the proposed proton transport pathways in [FeFe]-hydrogenase
2013
The ChEMBL database in 2017
2016 Standout
On the origin of the electrostatic barrier for proton transport in aquaporin
2004 StandoutNobel
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
2017 Standout
The transfer of protons in water wires inside proteins
2003
Expanding the view of proton pumping in cytochrome c oxidase through computer simulation
2011
The mechanism of proton exclusion in aquaporin channels
2004
Proton Transport through Water-Filled Carbon Nanotubes
2003
Molecular Mechanism of H+ Conduction in the Single-File Water Chain of the Gramicidin Channel
2002
Molecular Dynamics Simulation of Proton Transport through the Influenza A Virus M2 Channel
2002
Specific Ion Effects at the Air/Water Interface
2005 Standout
The computer simulation of proton transport in water
1999
Voltage-Gated Proton Channels and Other Proton Transfer Pathways
2003
Transport in Proton Conductors for Fuel-Cell Applications: Simulations, Elementary Reactions, and Phenomenology
2004 Standout
Structure and Nanostructure in Ionic Liquids
2015 Standout
Long-Range Proton Transfer in Aqueous Acid−Base Reactions
2007
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
2015 Standout
Computer Simulation of Liquids
2017 Standout
Modeling protonated water networks in bacteriorhodopsin
2004
Water as an Active Constituent in Cell Biology
2007 Standout
Energetics and Dynamics of Enzymatic Reactions
2001 StandoutNobel
Copper Active Sites in Biology
2014 Standout
Centroid molecular dynamics: A quantum dynamics method suitable for the parallel computer
2000
Hydroxide Ion Can Move Faster Than an Excess Proton through One-Dimensional Water Chains in Hydrophobic Narrow Pores
2012
Realistic Simulations of Proton Transport along the Gramicidin Channel: Demonstrating the Importance of Solvation Effects
2004 StandoutNobel
On the amphiphilic behavior of the hydrated proton: an ab initio molecular dynamics study
2005
Water Stability and Adsorption in Metal–Organic Frameworks
2014 Standout
Unimpeded Permeation of Water Through Helium-Leak–Tight Graphene-Based Membranes
2012 StandoutScienceNobel
Quantifying Free Energy Profiles of Proton Transfer Reactions in Solution and Proteins by Using a Diabatic FDFT Mapping
2008 StandoutNobel
Solvent-Mediated Proton Transfer in Catalysis by Carbonic Anhydrase
2007
Self-Assembled Crystalline Bundles in Soluble Metal–Organic Nanotubes
2023 StandoutNobel
Hydrogenases
2014 Standout
Electrostatic basis for the unidirectionality of the primary proton transfer in cytochrome c oxidase
2008 StandoutNobel
Quantum simulation
2014 Standout
Theory of Coupled Electron and Proton Transfer Reactions
2010
The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets
2000 Standout
Protein Side-Chain Motion and Hydration in Proton-Transfer Pathways. Results for Cytochrome P450cam
2003
Coarse-Grained (Multiscale) Simulations in Studies of Biophysical and Chemical Systems
2011 StandoutNobel
Enhanced and Optically Switchable Proton Conductivity in a Melting Coordination Polymer Crystal
2017 StandoutNobel
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
Maximally localized Wannier functions: Theory and applications
2012 Standout
Monte Carlo simulations of proton pumps: On the working principles of the biological valve that controls proton pumping in cytochrome c oxidase
2006 StandoutNobel
Dynamics and Proton Conduction of Heterogeneously Confined Imidazole in Porous Coordination Polymers
2022 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
Realistic simulations of the coupling between the protomotive force and the mechanical rotation of the F 0 -ATPase
2012 StandoutNobel
Voltage-Gated Proton Channels: Molecular Biology, Physiology, and Pathophysiology of the HVFamily
2013
Applications of Palladium-Catalyzed C–N Cross-Coupling Reactions
2016 Standout
Claudins and the Modulation of Tight Junction Permeability
2013 Standout
Visible‐Light Photocatalysis: Does It Make a Difference in Organic Synthesis?
2018 Standout
Polarizable Force Fields: History, Test Cases, and Prospects
2007 StandoutNobel
Harmonic inversion of time cross-correlation functions: The optimal way to perform quantum or semiclassical dynamics calculations
1998
Computer simulation of explicit proton translocation in cytochrome c oxidase: The D-pathway
2005
Chemistry: Chemical con artists foil drug discovery
2014 StandoutNature
TIME -DEPENDENT QUANTUM METHODS FOR LARGE SYSTEMS
1999
Dipole moment of water molecules in narrow pores
2005
A second generation multistate empirical valence bond model for proton transport in aqueous systems
2002
Water in Nonpolar Confinement: From Nanotubes to Proteins and Beyond
2007
Calculating the thermal rate constant with exponential speedup on a quantum computer
1999
Proton-Coupled Electron Transfer
2012 Standout
Molecular Mechanisms of Water-Mediated Proton Transport in MIL-53 Metal–Organic Frameworks
2013
Proton Solvation and Transport in Aqueous and Biomolecular Systems: Insights from Computer Simulations
2007
Structure and Chemistry of Cytochrome P450
2005 Standout
Multiple Binding Modes of Inhibitors to Carbonic Anhydrases: How to Design Specific Drugs Targeting 15 Different Isoforms?
2012 Standout
Works of Mark L. Brewer being referenced
The Formation and Dynamics of Proton Wires in Channel Environments
2001
Discovery of novel inhibitors of Trypanosoma cruzi trans-sialidase from in silico screening
2008
Arylsulfonamide CB2 receptor agonists: SAR and optimization of CB2 selectivity
2008
Semiclassical dynamics in up to 15 coupled vibrational degrees of freedom
1997
An in Silico Method for Predicting Ames Activities of Primary Aromatic Amines by Calculating the Stabilities of Nitrenium Ions
2010