Binding of Protein Kinase Inhibitors to Synapsin I Inferred from Pair-Wise Binding Site Similarity Measurements

Alignment-Free Ultra-High-Throughput Comparison of Druggable Protein−Ligand Binding Sites

(2010) Nathanaël Weill et al.   Journal of Chemical Information and Modeling

Structure-Based Approaches to Target Fishing and Ligand Profiling

(2010) Didier Rognan   Molecular Informatics

A Multidimensional Strategy to Detect Polypharmacological Targets in the Absence of Structural and Sequence Homology

(2010) Jacob D. Durrant et al.   PLoS Computational Biology

Prediction of sub-cavity binding preferences using an adaptive physicochemical structure representation

(2009) I. Wallach et al.   BIOINFORMATICS

PocketMatch: A new algorithm to compare binding sites in protein structures

(2009) Kalidas Yeturu et al.   BMC BIOINFORMATICS

Predicting new molecular targets for known drugs

(2009) Michael J. Keiser et al.   NATURE

PubChem: a public information system for analyzing bioactivities of small molecules

(2009) Y. Wang et al.   NUCLEIC ACIDS RESEARCH

Model structure of APOBEC3C reveals a binding pocket modulating ribonucleic acid interaction required for encapsidation

(2009) B. Stauch et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Identifying the proteins to which small-molecule probes and drugs bind in cells

(2009) S.-E. Ong et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Protein kinase inhibitors: contributions from structure to clinical compounds

(2009) Louise N. Johnson   QUARTERLY REVIEWS OF BIOPHYSICS

PSI-2: Structural Genomics to Cover Protein Domain Family Space

(2009) Benoît H. Dessailly et al.   STRUCTURE

Harvesting Candidate Genes Responsible for Serious Adverse Drug Reactions from a Chemical-Protein Interactome

(2009) Lun Yang et al.   PLoS Computational Biology

Drug Discovery Using Chemical Systems Biology: Repositioning the Safe Medicine Comtan to Treat Multi-Drug and Extensively Drug Resistant Tuberculosis

(2009) Sarah L. Kinnings et al.   PLoS Computational Biology

Synthesis of Natural-Product-Like Molecules with Over Eighty Distinct Scaffolds

(2008) Daniel Morton et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Therapeutic Protein Kinase Inhibitors

(2008) S. K. Grant   CELLULAR AND MOLECULAR LIFE SCIENCES

How to Measure the Similarity Between Protein Ligand-Binding Sites?

(2008) Esther Kellenberger et al.   Current Computer-Aided Drug Design

Computational analysis of ligand relationships within target families

(2008) Jürgen Bajorath   CURRENT OPINION IN CHEMICAL BIOLOGY

Target specificity and off-target effects as determinants of cancer drug efficacy

(2008) Maria C Shoshan et al.   Expert Opinion on Drug Metabolism & Toxicology

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

The UniProtKB/Swiss-Prot knowledgebase and its Plant Proteome Annotation Program

(2008) Michel Schneider et al.   Journal of Proteomics

Network pharmacology: the next paradigm in drug discovery

(2008) Andrew L Hopkins   Nature Chemical Biology

Detecting evolutionary relationships across existing fold space, using sequence order-independent profile-profile alignments

(2008) L. Xie et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A simple and fuzzy method to align and compare druggable ligand-binding sites

(2008) Claire Schalon et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Towards the Optimal Screening Collection: A Synthesis Strategy

(2007) Thomas E. Nielsen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION