Citation Impact
Citing Papers
The re-emergence of natural products for drug discovery in the genomics era
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Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
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Atomic packing and short-to-medium-range order in metallic glasses
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Principles of docking: An overview of search algorithms and a guide to scoring functions
2002
Physical properties of the fluid lipid-bilayer component of cell membranes: a perspective
1991
A Fast Flexible Docking Method using an Incremental Construction Algorithm
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Binding site characteristics in structure-based virtual screening: evaluation of current docking tools
2003
New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
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The ClusPro web server for protein–protein docking
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De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks
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The dynamic disulphide relay of quiescin sulphydryl oxidase
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Complex Ordered Patterns in Mechanical Instability Induced Geometrically Frustrated Triangular Cellular Structures
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DynaDock: A new molecular dynamics‐based algorithm for protein–peptide docking including receptor flexibility
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Novel inhibitors of anthrax edema factor
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Chemical cross‐linking and mass spectrometry to map three‐dimensional protein structures and protein–protein interactions
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Designing antimicrobial peptides: form follows function
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Differences of crystal structure and dynamics between a soft porous nanocrystal and a bulk crystal
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Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites
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Prediction of binding constants of protein ligands: A fast method for the prioritization of hits obtained from de novo design or 3D database search programs
1998
Hydration and DNA Recognition by Homeodomains
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Isotope effects in water as investigated by neutron diffraction and path integral molecular dynamics
2012
Protein Hydration Dynamics in Aqueous Solution: A Comparison of Bovine Pancreatic Trypsin Inhibitor and Ubiquitin by Oxygen-17 Spin Relaxation Dispersion
1995
Protein docking using a genetic algorithm
2001
Discovery of inhibitors of the pentein superfamily protein dimethylarginine dimethylaminohydrolase (DDAH), by virtual screening and hit analysis
2007
PatchDock and SymmDock: servers for rigid and symmetric docking
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Arene-Perfluoroarene Interactions as Physical Cross-Links for Hydrogel Formation
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SOFTDOCK: understanding of molecular recognition through a systematic docking study
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AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
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A comparison of heuristic search algorithms for molecular docking
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Protein–Protein Docking with Simultaneous Optimization of Rigid-body Displacement and Side-chain Conformations
2003 StandoutNobel
In-silico studies in Chinese herbal medicines’ research: Evaluation of in-silico methodologies and phytochemical data sources, and a review of research to date
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Probing the Specificity of the Subclass B3 FEZ-1 Metallo-β-lactamase by Site-directed Mutagenesis
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An Aptly Positioned Azido Group in the Spacer of a Protein Cross‐Linker for Facile Mapping of Lysines in Close Proximity
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ROSETTALIGAND: Protein–small molecule docking with full side‐chain flexibility
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Protein ligand docking based on empirical method for binding affinity estimation
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Click Chemistry for Drug Development and Diverse Chemical–Biology Applications
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A potential model for the study of ices and amorphous water: TIP4P/Ice
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Dynamics of entangled linear polymer melts: A molecular-dynamics simulation
1990 Standout
Computer Simulation of Liquids
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Water as an Active Constituent in Cell Biology
2007 Standout
Solid-State NMR Study of Poly(phenylacetylene) Synthesized with a Rhodium Complex Initiator
1998 StandoutNobel
2H n.m.r. study of high pressure effects on the molecular dynamics in polystyrene: 2. Phenyl group motion
1993
Formation and Characterization of Crystalline Molecular Arrays of Gas Molecules in a 1-Dimensional Ultramicropore of a Porous Copper Coordination Polymer
2005 StandoutNobel
Mapping of Protein Disulfide Bonds Using Negative Ion Fragmentation with a Broadband Precursor Selection
2006
New Insights into Perfluorinated Sulfonic-Acid Ionomers
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Nature of nonexponential loss of correlation above the glass transition investigated by multidimensional NMR
1991
Miscible Blend Dynamics and Thermodynamics: Quantitatively Untangling Slow Conformational Events in Amorphous Polymer Mixtures
2007
Medium-range structure in glasses and low-Q structure in neutron and X-ray scattering data
2005
Development of an Ion Mobility Quadrupole Time of Flight Mass Spectrometer
2008 StandoutNobel
Dynamical processes in organic glassforming van der Waals liquids
1991
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
2004 Standout
Conformation and Molecular Dynamics of Single Polystyrene Chain Confined in Coordination Nanospace
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Indications for a change of transport mechanism in supercooled liquids and the dynamics close and below Tg
1994
Polymersomes: Tough Vesicles Made from Diblock Copolymers
1999 StandoutScience
Relaxation in glassforming liquids and amorphous solids
2000 Standout
Docking and scoring in virtual screening for drug discovery: methods and applications
2004 Standout
Rotational Relaxation in ortho-Terphenyl: Using Atomistic Simulations to Bridge Theory and Experiment
2013 StandoutNobel
Reorientational dynamics in supercooled m-tricresyl phosphate: Its relation to main and secondary relaxation—31P nuclear magnetic resonance study of relaxation, line shape, and stimulated echo
1994
Bacterial Resistance to β-Lactam Antibiotics: Compelling Opportunism, Compelling Opportunity
2005 Standout
Two-dimensional NMR: new prospects for the elucidation of molecular dynamics in complex systems
1991
Dynamic Structure of a Protein Hydrogel: A Solid-State NMR Study
2001
In Silico and NMR Identification of Inhibitors of the IGF-I and IGF-Binding Protein-5 Interaction
2002
Identification and Characterization of Disulfide Bonds in Proteins and Peptides from Tandem MS Data by Use of the MassMatrix MS/MS Search Engine
2007
A Topographic View of Supercooled Liquids and Glass Formation
1995 StandoutScience
Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes
2006 Standout
Formation of Glasses from Liquids and Biopolymers
1995 StandoutScience
2H-NMR study of the glass transition in supercooled ortho-terphenyl
1988
Force Field Optimization Guided by Small Molecule Crystal Lattice Data Enables Consistent Sub-Angstrom Protein–Ligand Docking
2021 StandoutNobel
Molecular motion in glass-forming systems
1991
Behavior of Binary Guests in a Porous Coordination Polymer
2012 StandoutNobel
The tube concept of macromolecular liquids in the light of NMR experiments
1988
Multidimensional nuclear magnetic resonance in complex liquids analyzed by a simple model for non-Markovian molecular reorientation
1996
Macromolecular Modeling with Rosetta
2008 StandoutNobel
Structure-based discovery of β 2 -adrenergic receptor ligands
2009 StandoutNobel
QSD quadratic shape descriptors. 2. Molecular docking using quadratic shape descriptors (QSDock)
2000
Supercooled Liquids and Glasses
1996 Standout
The Nature of the Glass Transition in a Silica-Rich Oxide Melt
1994 Science
LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery
2011 Standout
The structure and ordering of ices III and V
2000
Translational and rotational diffusion in supercooled orthoterphenyl close to the glass transition
1992
Critical evaluation of search algorithms for automated molecular docking and database screening
1997
Backbone Dynamics of the Nafion Ionomer Studied by 19F‐13C Solid‐State NMR
2007
Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking
1999
Connected Network of Minima as a Model Glass: Long Time Dynamics
1998 StandoutNobel
Supercooled liquids and the glass transition
2001 StandoutNature
Molecular Recognition and Docking Algorithms
2003
Dynamics and disposition of benzene guest molecules in the micropore channels of a flexible metal-organic framework studied by 2H NMR and X-ray crystallography
2004
Molecular dynamics simulation of local chain motion in bulk amorphous polymers. I. Dynamics above the glass transition
1991
Rate Memory of Structural Relaxation in Glasses and Its Detection by Multidimensional NMR
1995
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening
2004 Standout
Enhanced translation of probe molecules in supercooled o-terphenyl: Signature of spatially heterogeneous dynamics?
1996 Standout
Nonexponential relaxations in strong and fragile glass formers
1993 Standout
Dynamics of [Zn(D2O)6]2+ in [Zn(D2O)6][SiF6] crystal as studied by 1D, 2D spectra and spin-lattice relaxation time of 2H NMR
2008
Polymer Vesicles
2002 StandoutScience
Works of S. Wefing being referenced
Placement of medium-sized molecular fragments into active sites of proteins
1996
Modeling of continuous random networks: a case study for vitreous GeO2. I. Model generation
1999
Two-dimensional exchange NMR of powder samples. II. The dynamic evolution of two-time distribution functions
1988
Screening for Disulfide Bonds in Proteins by MALDI In-Source Decay and LIFT-TOF/TOF-MS
2002
Dynamics of molecular reorientations: direct determination of rotational angles from two-dimensional NMR of powders
1986
Dynamics of molecular reorientations: Analogies between quasielastic neutron scattering and deuteron NMR spin alignment
1986
Two-dimensional exchange NMR of powder samples. I. Two-time distribution functions
1988
Two-dimensional exchange nuclear magnetic resonance of powder samples. III. Transition to motional averaging and application to the glass transition
1990
SearchXLinks. A Program for the Identification of Disulfide Bonds in Proteins from Mass Spectra
2006
Direct observation of tetrahedral hydrogen jumps in ice Ih
1988