Related references
Note: Only part of the references are listed.Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
G. Madhavi Sastry et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2013)
Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization
Thijs Beuming et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2012)
Shielded Hydrogen Bonds as Structural Determinants of Binding Kinetics: Application in Drug Design
Peter Schmidtke et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Pathway and mechanism of drug binding to G-protein-coupled receptors
Ron O. Dror et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)
Understanding Kinase Selectivity Through Energetic Analysis of Binding Site Waters
Daniel D. Robinson et al.
CHEMMEDCHEM (2010)
A conserved protonation-dependent switch controls drug binding in the Abl kinase
Yibing Shan et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)
Evaluating the energetics of empty cavities and internal mutations in proteins
Alexander A. Rashin et al.
PROTEIN SCIENCE (2009)
High-energy water sites determine peptide binding affinity and specificity of PDZ domains
Thijs Beuming et al.
PROTEIN SCIENCE (2009)
Residence time of receptor-ligand complexes and its effect on biological function
Peter J. Tummino et al.
BIOCHEMISTRY (2008)
Role of the active-site solvent in the thermodynamics of factor Xa ligand binding
Robert Abel et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
The contributions of Paul Ehrlich to pharmacology: A tribute on the occasion of the centenary of his Nobel Prize
Felix Bosch et al.
PHARMACOLOGY (2008)
Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand binding
Tom Young et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
Opinion - Drug-target residence time and its implications for lead optimization
Robert A. Copeland et al.
NATURE REVIEWS DRUG DISCOVERY (2006)
Rational design of inhibitors that bind to inactive kinase conformations
Y Liu et al.
NATURE CHEMICAL BIOLOGY (2006)
NMR characterization of kinase p38 dynamics in free and ligand-bound forms
M Vogtherr et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2006)
Identification of novel p38α MAP kinase inhibitors using fragment-based lead generation
AL Gill et al.
JOURNAL OF MEDICINAL CHEMISTRY (2005)
Glide: A new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy
RA Friesner et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
Mechanism of activation of the RAF-ERK signaling pathway by oncogenic mutations of B-RAF
PTC Wan et al.
CELL (2004)
The kinetics of binding to p38 MAP kinase by analogues of BIRB 796
J Regan et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2003)
Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site
C Pargellis et al.
NATURE STRUCTURAL BIOLOGY (2002)
Safety and pharmacokinetics of an oral p38 MAP kinase inhibitor (BIRB 796 BS), administered twice daily for 14 days to healthy volunteers
SH Polmar et al.
JOURNAL OF ALLERGY AND CLINICAL IMMUNOLOGY (2002)
Structural mechanism for STI-571 inhibition of Abelson tyrosine kinase
T Schindler et al.
SCIENCE (2000)
Share Paper
