Citation Impact
Citing Papers
NMR structure reveals intramolecular regulation mechanism for pheromone binding and release
2001 StandoutNobel
NMR structure of the mouse prion protein domain PrP(121–231)
1996 StandoutNatureNobel
X-ray scattering combined with coordinate-based analyses for applications in natural and artificial photosynthesis
2009
Experimental Evidence for Quantum Interference and Vibrationally Induced Decoherence in Single-Molecule Junctions
2012 StandoutNobel
Water conduction through the hydrophobic channel of a carbon nanotube
2001 StandoutNature
Interplay of Topology and Chemical Stability on the Electronic Transport of Molecular Junctions
2002
NMR Structure and Metal Interactions of the CopZ Copper Chaperone
1999 StandoutNobel
Electric Current through a Molecular Rod—Relevance of the Position of the Anchor Groups
2003 StandoutNobel
Dynamics of the base of ribosomal A-site finger revealed by molecular dynamics simulations and Cryo-EM
2009 StandoutNobel
Treatment of electrostatic effects in macromolecular modeling
1989
Quantitative reactivity profiling predicts functional cysteines in proteomes
2010 StandoutNatureNobel
Introduction of a cysteine protease active site into trypsin
1989
A computational approach for predicting off-target toxicity of antiviral ribonucleoside analogues to mitochondrial RNA polymerase
2018 StandoutNobel
Modulating the Binding of Polycyclic Aromatic Hydrocarbons Inside a Hexacationic Cage by Anion–π Interactions
2014 StandoutNobel
Driving Current through Single Organic Molecules
2002 StandoutNobel
Copper(I)-Catalyzed Synthesis of Azoles. DFT Study Predicts Unprecedented Reactivity and Intermediates
2004 StandoutNobel
NMR structures of three single-residue variants of the human prion protein
2000 StandoutNobel
Mechanismen der molekularen Erkennung ‐ Untersuchungen an organischen Wirt‐Gast‐Komplexen
1991
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
1996 Standout
Near-native structure refinement using in vacuo energy minimization
2007 StandoutNobel
Mechanisms of Molecular Recognition : Investigations of Organic Host–Guest Complexes
1991
Dynamical Contributions to Enzyme Catalysis: Critical Tests of A Popular Hypothesis
2006 StandoutNobel
Room-Temperature Ionic Liquids: Solvents for Synthesis and Catalysis. 2
2011 Standout
Complexation of Polyoxometalates with Cyclodextrins
2015 StandoutNobel
Crystal Structure of a p53 Tumor Suppressor-DNA Complex: Understanding Tumorigenic Mutations
1994 StandoutScience
Prion protein NMR structure and familial human spongiform encephalopathies
1998 StandoutNobel
Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems
2000
Tailor-made ionic liquids
2005
On the Mechanism of Hydrolysis of Phosphate Monoesters Dianions in Solutions and Proteins
2006 StandoutNobel
Mechanisms of Tetrazole Formation by Addition of Azide to Nitriles
2002 StandoutNobel
Molecular Dynamics Simulation of Amphiphilic Bistable [2]Rotaxane Langmuir Monolayers at the Air/Water Interface
2005 StandoutNobel
Classical Electrostatics in Biology and Chemistry
1995 StandoutScience
Apparent NAC Effect in Chorismate Mutase Reflects Electrostatic Transition State Stabilization
2003 StandoutNobel
Catalytic Mechanism of the Enzyme Papain: Predictions with a Hybrid Quantum Mechanical/Molecular Mechanical Potential
1997
AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules
1995 Standout
Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins
1995
Computer Simulation of the Chemical Catalysis of DNA Polymerases: Discriminating between Alternative Nucleotide Insertion Mechanisms for T7 DNA Polymerase
2003 StandoutNobel
Finite element approach to the electrostatics of macromolecules with arbitrary geometries
1993
Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor
2013 StandoutNobel
Clustering to identify RNA conformations constrained by secondary structure
2011 StandoutNobel
Cation-π Interactions in Chemistry and Biology: A New View of Benzene, Phe, Tyr, and Trp
1996 StandoutScience
Modeling and design by hierarchical natural moves
2012 StandoutNobel
Why Is Tetrazole Formation by Addition of Azide to Organic Nitriles Catalyzed by Zinc(II) Salts?
2003 StandoutNobel
How Much Do Enzymes Really Gain by Restraining Their Reacting Fragments?
2002 StandoutNobel
Solvent dramatically affects protein structure refinement
2008 StandoutNobel
How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
2000 Standout
The injecting energy at molecule/metal interfaces: Implications for conductance of molecular junctions from an ab initio molecular description
1999
Computer simulations of protein functions: Searching for the molecular origin of the replication fidelity of DNA polymerases
2005 StandoutNobel
NMR solution structure of the human prion protein
2000 StandoutNobel
Progress in Modeling of Protein Structures and Interactions
2005 StandoutScienceNobel
Transfer RNA in the hybrid P/E state: Correlating molecular dynamics simulations with cryo-EM data
2007 StandoutNobel
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
1995 Standout
Ab initio/LD studies of chemical reactions in solution: Reference free-energy surfaces for acylation reactions occurring in serine and cysteine proteases
2000 StandoutNobel
Electrostatic Basis for Enzyme Catalysis
2006 StandoutNobel
Ab Initio Evaluation of the Free Energy Surfaces for the General Base/Acid Catalyzed Thiolysis of Formamide and the Hydrolysis of Methyl Thiolformate: A Reference Solution Reaction for Studies of Cysteine Proteases
2001 StandoutNobel
Quantification of the hydrophobic interaction by simulations of the aggregation of small hydrophobic solutes in water
2001 StandoutNobel
Force display in molecular docking
1988
Quantum Mechanical Continuum Solvation Models
2005 Standout
How important are entropic contributions to enzyme catalysis?
2000 StandoutNobel
Advancing beyond the atom-centered model in additive and nonadditive molecular mechanics
1997
Structure comparison of human glioma pathogenesis-related protein GliPR and the plant pathogenesis-related protein P14a indicates a functional link between the human immune system and a plant defense system
1998 StandoutNobel
2.1 and 1.8 Å Average Cα RMSD Structure Predictions on Two Small Proteins, HP-36 and S15
2001 StandoutNobel
Experimental Evidence for Intramolecular Blue-Shifting C−H···O Hydrogen Bonding by Matrix-Isolation Infrared Spectroscopy
2003 StandoutNobel
NMR structure of the calreticulin P-domain
2001 StandoutNobel
Calibration and Testing of a Water Model for Simulation of the Molecular Dynamics of Proteins and Nucleic Acids in Solution
1997 StandoutNobel
Importance of an intramolecular 1,5-CH…O interaction and intermolecular interactions as factors determining conformational equilibria in 1,2-dimethoxyethane: a matrix-isolation infrared spectroscopic study
1992
Combined ab initio and Free Energy Calculations To Study Reactions in Enzymes and Solution: Amide Hydrolysis in Trypsin and Aqueous Solution
1998
The new program OPAL for molecular dynamics simulations and energy refinements of biological macromolecules
1996
Evidence that the N-terminal domain of nonstructural protein NS3 from yellow fever virus is a serine protease responsible for site-specific cleavages in the viral polyprotein.
1990 StandoutNobel
Molecular Dynamics Simulations of the Catalytic Pathway of a Cysteine Protease: A Combined QM/MM Study of Human Cathepsin K
2007
Works of A. Howard being referenced
Molecular dynamics studies of a DNA‐binding protein: 1. A comparison of the trp repressor and trp aporepressor aqueous simulations
1992
An analysis of current methodologies for conformational searching of complex molecules
1988
A molecular mechanical model that reproduces the relative energies for chair and twist‐boat conformations of 1,3‐dioxanes
1995
Temporary anion states of hydrogen cyanide, methyl cyanide, and methylene dicyanide, selected cyanoethylenes, benzonitrile, and tetracyanoquinodimethane
1992
A new technique to calculate low-energy conformations of cyclic molecules utilizing the ellipsoid algorithm and molecular dynamics: application to 18-crown-6
1988
OH- versus SH- nucleophilic attack on amides: dramatically different gas-phase and solvation energetics
1988
Complete microwave structure and electron distribution for spiro[2.4]hepta-4,6-diene
1981
Many-body potential for molecular interactions
1988