Citation Impact
Citing Papers
Loss of conformational entropy in protein folding calculated using realistic ensembles and its implications for NMR-based calculations
2014 StandoutNobel
Global analysis of protein folding using massively parallel design, synthesis, and testing
2017 StandoutScienceNobel
Computational design of closely related proteins that adopt two well-defined but structurally divergent folds
2020 StandoutNobel
RNA polymerase II trigger loop residues stabilize and position the incoming nucleotide triphosphate in transcription
2010 StandoutNobel
A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations
2003 Standout
Magnesium-cationic Dummy Atom Molecules Enhance Representation of DNA Polymerase β in Molecular Dynamics Simulations: Improved Accuracy in Studies of Structural Features and Mutational Effects
2006 StandoutNobel
Modeling electrostatic effects in proteins
2006 StandoutNobel
Analysis of Anisotropic Side-chain Packing in Proteins and Application to High-resolution Structure Prediction
2004 StandoutNobel
Forces stabilizing proteins
2014
A buried lysine that titrates with a normal pKa: Role of conformational flexibility at the protein–water interface as a determinant of pKavalues
2008
What are the dielectric “constants” of proteins and how to validate electrostatic models?
2001
A De Novo Designed Coiled-Coil Peptide with a Reversible pH-Induced Oligomerization Switch
2016
Rearrangement of Charge–Charge Interactions in Variant Ubiquitins as Detected by Double-Mutant Cycles and NMR
2003
Charge–Charge Interactions are Key Determinants of the pK Values of Ionizable Groups in Ribonuclease Sa (pI=3.5) and a Basic Variant (pI=10.2)
2003
pK values of the ionizable groups of proteins
2006
Simulating electrostatic energies in proteins: Perspectives and some recent studies of pKas, redox, and other crucial functional properties
2011 StandoutNobel
The barrier for proton transport in aquaporins as a challenge for electrostatic models: The role of protein relaxation in mutational calculations
2006 StandoutNobel
Contribution of Hydrophobic Interactions to Protein Stability
2011
Very fast empirical prediction and rationalization of protein pKa values
2005 Standout
The Geometry of the Ribosomal Polypeptide Exit Tunnel
2006 StandoutNobel
Stabilization of Internal Charges in a Protein: Water Penetration or Conformational Change?
2004
Distance dependence and salt sensitivity of pairwise, coulombic interactions in a protein
2002
Water in protein cavities: A procedure to identify internal water and exchange pathways and application to fatty acid‐binding protein
2002
An Orientation-dependent Hydrogen Bonding Potential Improves Prediction of Specificity and Structure for Proteins and Protein–Protein Complexes
2003 StandoutNobel
Structural Basis of Perturbed pKa Values of Catalytic Groups in Enzyme Active Sites
2002
Charge–charge interactions are the primary determinants of the pK values of the ionizable groups in Ribonuclease T1
2002
Protein Vivisection Reveals Elusive Intermediates in Folding
2010
Continuum electrostatic analysis of irregular ionization and proton allocation in proteins
2001
Molecular Basis of the Light-driven Switching of the Photochromic Fluorescent Protein Padron
2010 StandoutNobel
Capturing the energetics of water insertion in biological systems: The water flooding approach
2012 StandoutNobel
Empirical relationships between protein structure and carboxyl pKa values in proteins
2002
The determinants of carboxyl pK a values in turkey ovomucoid third domain
2004
An empirical model for electrostatic interactions in proteins incorporating multiple geometry‐dependent dielectric constants
2003
Variability in the pKa of histidine side‐chains correlates with burial within proteins
2002
Theory and simulation of proton-coupled electron transfer, hydrogen-atom transfer, and proton translocation in proteins
2004
Molecular dynamics study of water penetration in staphylococcal nuclease
2005
Are Acidic and Basic Groups in Buried Proteins Predicted to be Ionized?
2005
Prediction of functionally important residues based solely on the computed energetics of protein structure 1 1Edited by B. Honig
2001
Ions in water: Characterizing the forces that control chemical processes and biological structure
2007
Catalytic roles for proton transfer and protonation in ribozymes
2003
Directed Evolution of Gloeobacter violaceus Rhodopsin Spectral Properties
2014 StandoutNobel
Quantitative exploration of the molecular origin of the activation of GTPase
2013 StandoutNobel
Effect of Ions on the Structure of Water: Structure Making and Breaking
2009 Standout
Close agreement between the orientation dependence of hydrogen bonds observed in protein structures and quantum mechanical calculations
2004 StandoutNobel
Functional Nucleic Acid Sensors
2009 Standout
Exploring the nature of the translocon-assisted protein insertion
2012 StandoutNobel
Structure and Nanostructure in Ionic Liquids
2015 Standout
Converting structural information into an allosteric-energy-based picture for elongation factor Tu activation by the ribosome
2011 StandoutNobel
A Computational and Conceptual DFT Study on the Michaelis Complex of pI258 Arsenate Reductase. Structural Aspects and Activation of the Electrophile and Nucleophile
2004
Water as an Active Constituent in Cell Biology
2007 Standout
Nonlocal dielectric functions on the nanoscale: Screened forces from unscreened potentials
2003
Electrostatic Interactions in an Integral Membrane Protein
2002
Electrostatic Effects in Highly Charged Proteins: Salt Sensitivity of pKa Values of Histidines in Staphylococcal Nuclease
2002
Apparent NAC Effect in Chorismate Mutase Reflects Electrostatic Transition State Stabilization
2003 StandoutNobel
Water Stability and Adsorption in Metal–Organic Frameworks
2014 Standout
Unimpeded Permeation of Water Through Helium-Leak–Tight Graphene-Based Membranes
2012 StandoutScienceNobel
Folding of Oligoviologens Induced by Radical–Radical Interactions
2014 StandoutNobel
Electrophilicity Index
2006 Standout
Electrostatics and the Gating Pore of Shaker Potassium Channels
2001
Electrostatic basis for the unidirectionality of the primary proton transfer in cytochrome c oxidase
2008 StandoutNobel
De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures
2017 StandoutNobel
Realistic simulation of the activation of voltage-gated ion channels
2012 StandoutNobel
The Two Substrate−Water Molecules Are Already Bound to the Oxygen-Evolving Complex in the S2State of Photosystem II
2002
Supramolecular Helical Systems: Helical Assemblies of Small Molecules, Foldamers, and Polymers with Chiral Amplification and Their Functions
2016 Standout
Artificial Molecular Machines
2015 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
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
Electrostatic Basis for Enzyme Catalysis
2006 StandoutNobel
Realistic simulations of the coupling between the protomotive force and the mechanical rotation of the F 0 -ATPase
2012 StandoutNobel
Long-Range Nature of the Interactions between Titratable Groups inBacillusagaradhaerensFamily 11 Xylanase: pH Titration ofB. agaradhaerensXylanase
2004
Electrostatic Interactions in Ubiquitin: Stabilization of Carboxylates by Lysine Amino Groups
2002
Converting conformational changes to electrostatic energy in molecular motors: The energetics of ATP synthase
2003 StandoutNobel
Evaluation of Models of Electrostatic Interactions in Proteins
2003 StandoutNobel
Quantum Mechanical Continuum Solvation Models
2005 Standout
pKa of Residue 66 in Staphylococal nuclease. I. Insights from QM/MM Simulations with Conventional Sampling
2008
Computational design of a pH-sensitive IgG binding protein
2013 StandoutNobel
Hydrophobic Collapse of Foldamer Capsules Drives Picomolar-Level Chloride Binding in Aqueous Acetonitrile Solutions
2013
Using a Charging Coordinate in Studies of Ionization Induced Partial Unfolding
2006 StandoutNobel
Simulating the electrostatic guidance of the vectorial translocations in hexameric helicases and translocases
2009 StandoutNobel
Water in Nonpolar Confinement: From Nanotubes to Proteins and Beyond
2007
“Inverse Drug Discovery” Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates
2017 StandoutNobel
Frozen Density Functional Free Energy Simulations of Redox Proteins: Computational Studies of the Reduction Potential of Plastocyanin and Rusticyanin
2003 StandoutNobel
On the energetics of translocon-assisted insertion of charged transmembrane helices into membranes
2010 StandoutNobel
A Point Mutation in the Amino Terminus of TLR7 Abolishes Signaling without Affecting Ligand Binding
2011 StandoutNobel
Proton-Coupled Electron Transfer
2012 Standout
Tuning the Electronic Absorption of Protein-Embedded All- trans -Retinal
2012 Science
Structural basis for gating charge movement in the voltage sensor of a sodium channel
2011 StandoutNobel
Works of Daniel A. Karp being referenced
High Apparent Dielectric Constants in the Interior of a Protein Reflect Water Penetration
2000
Experimental pKa Values of Buried Residues: Analysis with Continuum Methods and Role of Water Penetration
2002
High Apparent Dielectric Constant Inside a Protein Reflects Structural Reorganization Coupled to the Ionization of an Internal Asp
2006