idTarget: a web server for identifying protein targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach

sc-PDB: a database for identifying variations and multiplicity of 'druggable' binding sites in proteins

(2011) J. Meslamani et al.   BIOINFORMATICS

Interactions Between Buprenorphine and the Protease Inhibitors Darunavir-Ritonavir and Fosamprenavir-Ritonavir

(2011) V. A. Gruber et al.   CLINICAL INFECTIOUS DISEASES

Structure-based systems biology for analyzing off-target binding

(2011) Lei Xie et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Robust Scoring Functions for Protein–Ligand Interactions with Quantum Chemical Charge Models

(2011) Jui-Chih Wang et al.   Journal of Chemical Information and Modeling

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

CD-HIT Suite: a web server for clustering and comparing biological sequences

(2010) Ying Huang et al.   BIOINFORMATICS

Exploration of the HDAC2 foot pocket: Synthesis and SAR of substituted N-(2-aminophenyl)benzamides

(2010) Jerome C. Bressi et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

ON THE DESIGN OF OPTIMIZATION ALGORITHMS FOR PREDICTION OF MOLECULAR INTERACTIONS

(2010) DARBY TIEN-HAO CHANG et al.   International Journal on Artificial Intelligence Tools

Drug Interactions with New and Investigational Antiretrovirals

(2009) Kevin C. Brown et al.   CLINICAL PHARMACOKINETICS

Comparative Assessment of Scoring Functions on a Diverse Test Set

(2009) Tiejun Cheng et al.   Journal of Chemical Information and Modeling

Target Fishing for Chemical Compounds Using Target-Ligand Activity Data and Ranking Based Methods

(2009) Nikil Wale et al.   Journal of Chemical Information and Modeling

Predicting new molecular targets for known drugs

(2009) Michael J. Keiser et al.   NATURE

SePreSA: a server for the prediction of populations susceptible to serious adverse drug reactions implementing the methodology of a chemical–protein interactome

(2009) Lun Yang et al.   NUCLEIC ACIDS RESEARCH

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

(2009) S. G. Aller et al.   SCIENCE

Statins Increase p21 through Inhibition of Histone Deacetylase Activity and Release of Promoter-Associated HDAC1/2

(2008) Y.-C. Lin et al.   CANCER RESEARCH

Ranking Targets in Structure-Based Virtual Screening of Three-Dimensional Protein Libraries: Methods and Problems

(2008) Esther Kellenberger et al.   Journal of Chemical Information and Modeling

Effect of Flap Mutations on Structure of HIV-1 Protease and Inhibition by Saquinavir and Darunavir

(2008) Fengling Liu et al.   JOURNAL OF MOLECULAR BIOLOGY