Citation Impact
Citing Papers
Improvement of comparative model accuracy by free-energy optimization along principal components of natural structural variation
2004 StandoutNobel
A monomeric G protein-coupled receptor isolated in a high-density lipoprotein particle efficiently activates its G protein
2007 StandoutNobel
High-Resolution Crystal Structure of an Engineered Human β 2 -Adrenergic G Protein–Coupled Receptor
2007 StandoutScienceNobel
Comprehensive computational design of ordered peptide macrocycles
2017 StandoutScienceNobel
Simultaneous prediction of protein folding and docking at high resolution
2009 StandoutNobel
Computational Thermostabilization of an Enzyme
2005 StandoutScienceNobel
Counting Low-Copy Number Proteins in a Single Cell
2007 StandoutScienceNobel
Subpolar addition of new cell wall is directed by DivIVA in mycobacteria
2014 StandoutNobel
Computational design of soluble and functional membrane protein analogues
2024 StandoutNatureNobel
Structure, energetics, and dynamics of lipid–protein interactions: A molecular dynamics study of the gramicidin A channel in a DMPC bilayer
1996
AGBNP: An analytic implicit solvent model suitable for molecular dynamics simulations and high‐resolution modeling
2004
Evaluation of a fast implicit solvent model for molecular dynamics simulations
2001
Force Fields for Protein Simulations
2003
Effective Born radii in the generalized Born approximation: The importance of being perfect
2002
Electrostatic component of solvation: Comparison of SCRF continuum models
2003
Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures
2003
Theory and applications of the generalized born solvation model in macromolecular simulations
2000
Modeling electrostatic effects in proteins
2006 StandoutNobel
Empirical force fields for biological macromolecules: Overview and issues
2004
Solution conformations and thermodynamics of structured peptides: molecular dynamics simulation with an implicit solvation model
1998
A Mutant Drosophila Homolog of Mammalian Clock Disrupts Circadian Rhythms and Transcription of period and timeless
1998 StandoutNobel
Determination of the effective dielectric constant from the accurate solution of the Poisson equation
2002
The Amber biomolecular simulation programs
2005 Standout
Biased Probability Monte Carlo Conformational Searches and Electrostatic Calculations for Peptides and Proteins
1994
A Detailed Molecular Belt Model for Apolipoprotein A-I in Discoidal High Density Lipoprotein
1999
High-resolution structure prediction and the crystallographic phase problem
2007 StandoutNatureNobel
Molecular dynamics simulations of peptides and proteins with a continuum electrostatic model based on screened Coulomb potentials
2003
Exploring protein native states and large‐scale conformational changes with a modified generalized born model
2004 Standout
New analytic approximation to the standard molecular volume definition and its application to generalized Born calculations
2003
Implicit solvent models
1999
Generalized born model with a simple smoothing function
2003
Computational redesign of endonuclease DNA binding and cleavage specificity
2006 StandoutNatureNobel
Accelerated Poisson–Boltzmann calculations for static and dynamic systems
2002
Integrated Modeling Program, Applied Chemical Theory (IMPACT)
2005
Effective energy function for proteins in solution
1999
Recent advances in the development and application of implicit solvent models in biomolecule simulations
2004
Distance and exposure dependent effective dielectric function
2002
Quantitative reactivity profiling predicts functional cysteines in proteomes
2010 StandoutNatureNobel
Microarray Analysis and Organization of Circadian Gene Expression in Drosophila
2001 StandoutNobel
Structure-based design of non-natural amino-acid inhibitors of amyloid fibril formation
2011 StandoutNatureNobel
Functional site profiling and electrostatic analysis of cysteines modifiable to cysteine sulfenic acid
2008
Effective energy functions for protein structure prediction
2000
Constant‐pH molecular dynamics using continuous titration coordinates
2004
Converging free energy estimates: MM‐PB(GB)SA studies on the protein–protein complex Ras–Raf
2003
A critical analysis of continuum electrostatics: The screened Coulomb potential–implicit solvent model and the study of the alanine dipeptide and discrimination of misfolded structures of proteins
2002
Poisson–Boltzmann Methods for Biomolecular Electrostatics
2004
Toward high-resolution prediction and design of transmembrane helical protein structures
2007 StandoutNobel
Nonpolar solutes enhance water structure within hydration shells while reducing interactions between them
2005 StandoutNobel
Copper(I)-Catalyzed Synthesis of Azoles. DFT Study Predicts Unprecedented Reactivity and Intermediates
2004 StandoutNobel
A generalized Born formalism for heterogeneous dielectric environments: Application to the implicit modeling of biological membranes
2005
Combining implicit solvation models with hybrid quantum mechanical/molecular mechanical methods: A critical test with glycine
2002
Development of a Generalized Born Model Parametrization for Proteins and Nucleic Acids
1999
Orally Absorbed Cyclic Peptides
2017
Close agreement between the orientation dependence of hydrogen bonds observed in protein structures and quantum mechanical calculations
2004 StandoutNobel
Prediction of the structure of symmetrical protein assemblies
2007 StandoutNobel
Implicit solvation based on generalized Born theory in different dielectric environments
2003
Generalized Born Models of Macromolecular Solvation Effects
2000
Converting structural information into an allosteric-energy-based picture for elongation factor Tu activation by the ribosome
2011 StandoutNobel
Constant-pH molecular dynamics simulations: a test case of succinic acid
2004
Electrostatics and dynamics of proteins
2003
Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems
2000
CHARMM‐GUI: A web‐based graphical user interface for CHARMM
2008 Standout
Modification of the Generalized Born Model Suitable for Macromolecules
2000
Circadian orchestration of gene expression in cyanobacteria.
1995
Membrane growth can generate a transmembrane pH gradient in fatty acid vesicles
2004 StandoutNobel
Concepts in photobiology : photosynthesis and photomorphogenesis
1999
Effective energy function for proteins in lipid membranes
2003
Incorporating variable dielectric environments into the generalized Born model
2005
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
1999 Standout
Tinker 8: Software Tools for Molecular Design
2018
Calculation of the reaction field due to off-center point multipoles
1997
Electrostatic basis for the unidirectionality of the primary proton transfer in cytochrome c oxidase
2008 StandoutNobel
Clustering to identify RNA conformations constrained by secondary structure
2011 StandoutNobel
Modeling and design by hierarchical natural moves
2012 StandoutNobel
Improved recognition of native-like protein structures using a family of designed sequences
2002 StandoutNobel
Native protein sequences are close to optimal for their structures
2000 StandoutNobel
Why Is Tetrazole Formation by Addition of Azide to Organic Nitriles Catalyzed by Zinc(II) Salts?
2003 StandoutNobel
A General Treatment of Solvent Effects Based on Screened Coulomb Potentials
2000
Computational Elucidation of the Structural Basis of Ligand Binding to the Dopamine 3 Receptor through Docking and Homology Modeling
2006
Solvent dramatically affects protein structure refinement
2008 StandoutNobel
Acid-functionalized UiO-66(Zr) MOFs and their evolution after intra-framework cross-linking: structural features and sorption properties
2014
Consistent Calculations of pKa's of Ionizable Residues in Proteins: Semi-microscopic and Microscopic Approaches
1997 StandoutNobel
Realistic simulation of the activation of voltage-gated ion channels
2012 StandoutNobel
Design of a Novel Globular Protein Fold with Atomic-Level Accuracy
2003 StandoutScienceNobel
Parametrized Model for Aqueous Free Energies of Solvation Using Geometry-Dependent Atomic Surface Tensions with Implicit Electrostatics
1997
The GB/SA Continuum Model for Solvation. A Fast Analytical Method for the Calculation of Approximate Born Radii
1997
Model for Aqueous Solvation Based on Class IV Atomic Charges and First Solvation Shell Effects
1996
Progress in Modeling of Protein Structures and Interactions
2005 StandoutScienceNobel
Continuum Electrostatic Energies of Macromolecules in Aqueous Solutions
1997
Peptide and Protein Folding and Conformational Equilibria: Theoretical Treatment of Electrostatics and Hydrogen Bonding with Implicit Solvent Models
2005
Parametrized Models of Aqueous Free Energies of Solvation Based on Pairwise Descreening of Solute Atomic Charges from a Dielectric Medium
1996
Folding free energy function selects native-like protein sequences in the core but not on the surface
2002
Brønsted Acidity in Metal–Organic Frameworks
2015 StandoutNobel
Charge Screening and the Dielectric Constant of Proteins: Insights from Molecular Dynamics
1996
Pairwise solute descreening of solute charges from a dielectric medium
1995
Realistic simulations of the coupling between the protomotive force and the mechanical rotation of the F 0 -ATPase
2012 StandoutNobel
Molecular Dynamics Simulations of Nucleic Acids with a Generalized Born Solvation Model
2000
Novel generalized Born methods
2002
Fast Boundary Element Method for the Linear Poisson−Boltzmann Equation
2002
Circadian rhythms in prokaryotes: luciferase as a reporter of circadian gene expression in cyanobacteria.
1993
The Area Derivative of a Space-Filling Diagram
2004 StandoutNobel
The 3D profile method for identifying fibril-forming segments of proteins
2006 StandoutNobel
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
The Cavity and Pore Helices in the KcsA K + Channel: Electrostatic Stabilization of Monovalent Cations
1999 StandoutScienceNobel
Quantum Mechanical Continuum Solvation Models
2005 Standout
Disclosure of the mycobacterial outer membrane: Cryo-electron tomography and vitreous sections reveal the lipid bilayer structure
2008
A Poisson–Boltzmann dynamics method with nonperiodic boundary condition
2003
2.1 and 1.8 Å Average Cα RMSD Structure Predictions on Two Small Proteins, HP-36 and S15
2001 StandoutNobel
Simulating the electrostatic guidance of the vectorial translocations in hexameric helicases and translocases
2009 StandoutNobel
On the energetics of translocon-assisted insertion of charged transmembrane helices into membranes
2010 StandoutNobel
A simple physical model for binding energy hot spots in protein–protein complexes
2002 StandoutNobel
Oscillating molecules and how they move circadian clocks across evolutionary boundaries.
1993 StandoutNobel
Integrated microfluidic bioprocessor for single-cell gene expression analysis
2008 StandoutNobel
Works of Michael Schaefer being referenced
Protein molecular dynamics with the generalized born/ACE solvent model
2001
A precise analytical method for calculating the electrostatic energy of macromolecules in aqueous solution
1990
Improving the accuracy of protein pKa calculations: Conformational averaging versus the average structure
1998
Effective atom volumes for implicit solvent models: comparison between Voronoi volumes and minimum fluctuation volumes
2001
Transcriptional and posttranscriptional components of psbA response to high light intensity in Synechococcus sp. strain PCC 7942
1992
Molecular dynamics simulation of a bilayer of 200 lipids in the gel and in the liquid crystal phase
1993
Complementation of a red-light-indifferent cyanobacterial mutant.
1992
The phycobilisome, a light-harvesting complex responsive to environmental conditions
1993
In Situ X-ray Diffraction Studies of the Crystallization of Layered Manganese Thioantimonates(III) under Hydrothermal Conditions
2001
A Comprehensive Analytical Treatment of Continuum Electrostatics
1996
A Detailed Investigation on Conformation, Permeability and PK Properties of Two Related Cyclohexapeptides
2014
Different and rapid responses of four cyanobacterial psbA transcripts to changes in light intensity
1990