Multiple ligand docking by Glide: implications for virtual second-site screening

Fragment-Based Drug Design and Drug Repositioning Using Multiple Ligand Simultaneous Docking (MLSD): Identifying Celecoxib and Template Compounds as Novel Inhibitors of Signal Transducer and Activator of Transcription 3 (STAT3)

(2011) Huameng Li et al.   JOURNAL OF MEDICINAL CHEMISTRY

How Well Can Fragments Explore Accessed Chemical Space? A Case Study from Heat Shock Protein 90

(2011) Stephen D. Roughley et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of a Novel Hsp90 Inhibitor by Fragment Linking

(2010) John J. Barker et al.   ChemMedChem

Virtual Fragment Docking by Glide: a Validation Study on 190 Protein−Fragment Complexes

(2010) Márk Sándor et al.   Journal of Chemical Information and Modeling

Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution

(2010) Jeremy R. Greenwood et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency

(2010) Christopher W. Murray et al.   JOURNAL OF MEDICINAL CHEMISTRY

Crystal Structures of Cytochrome P450 2B4 in Complex with the Inhibitor 1-Biphenyl-4-methyl-1H-imidazole: Ligand-Induced Structural Response through α-Helical Repositioning,

(2009) Sean C. Gay et al.   BIOCHEMISTRY

Activators of P-glycoprotein: Structure-Activity Relationships and Investigation of their Mode of Action

(2009) Katja Sterz et al.   ChemMedChem

Substrates, Inducers, Inhibitors and Structure-Activity Relationships of Human Cytochrome P450 2C9 and Implications in Drug Development

(2009) S.-F. Zhou et al.   CURRENT MEDICINAL CHEMISTRY

Interaction ofMycobacterium tuberculosisCYP130 with Heterocyclic Arylamines

(2009) Larissa M. Podust et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy

(2009) Jason B. Cross et al.   Journal of Chemical Information and Modeling

Cooperative properties of cytochromes P450

(2009) Ilia G. Denisov et al.   PHARMACOLOGY & THERAPEUTICS

Structure of P-Glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding

(2009) S. G. Aller et al.   SCIENCE

Multiple-Ligand Binding in CYP2A6: Probing Mechanisms of Cytochrome P450 Cooperativity by Assessing Substrate Dynamics†

(2008) John P. Harrelson et al.   BIOCHEMISTRY

Cooperativity in Oxidation Reactions Catalyzed by Cytochrome P450 1A2

(2008) Christal D. Sohl et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Determinants of Cytochrome P450 2C8 Substrate Binding

(2008) Guillaume A. Schoch et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Recent Developments in Fragment-Based Drug Discovery

(2008) Miles Congreve et al.   JOURNAL OF MEDICINAL CHEMISTRY

Kinetic Modeling of the Interactions between 4-Methylumbelliferone, 1-Naphthol, and Zidovudine Glucuronidation by UDP-Glucuronosyltransferase 2B7 (UGT2B7) Provides Evidence for Multiple Substrate Binding and Effector Sites

(2008) V. Uchaipichat et al.   MOLECULAR PHARMACOLOGY

Cooperativity and biological complexity

(2008) Adrian Whitty   Nature Chemical Biology

Cytochrome P450 and Chemical Toxicology

(2007) F. Peter Guengerich   CHEMICAL RESEARCH IN TOXICOLOGY