Computational tools for polypharmacology and repurposing

Identification of Optimal Drug Combinations Targeting Cellular Networks: Integrating Phospho-Proteomics and Computational Network Analysis

(2010) S. Iadevaia et al.   CANCER RESEARCH

Predicting Polypharmacology by Binding Site Similarity: From Kinases to the Protein Universe

(2010) Francesca Milletti et al.   Journal of Chemical Information and Modeling

Pharmacophores in Drug Research

(2010) Thierry Langer   Molecular Informatics

PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach

(2010) Xiaofeng Liu et al.   NUCLEIC ACIDS RESEARCH

Discovery of drug mode of action and drug repositioning from transcriptional responses

(2010) F. Iorio et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Unveiling the role of network and systems biology in drug discovery

(2010) Albert Pujol et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Designing Multiple Ligands – Medicinal Chemistry Strategies and Challenges

(2009) Richard Morphy et al.   CURRENT PHARMACEUTICAL DESIGN

Mapping Adverse Drug Reactions in Chemical Space

(2009) Josef Scheiber et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structure and organization of drug-target networks: insights from genomic approaches for drug discovery

(2009) Sarath Chandra Janga et al.   Molecular BioSystems

Predicting new molecular targets for known drugs

(2009) Michael J. Keiser et al.   NATURE

STITCH 2: an interaction network database for small molecules and proteins

(2009) Michael Kuhn et al.   NUCLEIC ACIDS RESEARCH

KEGG for representation and analysis of molecular networks involving diseases and drugs

(2009) Minoru Kanehisa et al.   NUCLEIC ACIDS RESEARCH

A Ligand-Based Approach to Mining the Chemogenomic Space of Drugs

(2008) Elisabet Gregori-Puigjane et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Self-Organizing Maps in Drug Discovery: Compound Library Design, Scaffold-Hopping, Repurposing

(2008) P. Schneider et al.   CURRENT MEDICINAL CHEMISTRY

The impact of accelerator processors for high-throughput molecular modeling and simulation

(2008) G. Giupponi et al.   DRUG DISCOVERY TODAY

Network pharmacology: the next paradigm in drug discovery

(2008) Andrew L Hopkins   Nature Chemical Biology

Drug Target Identification Using Side-Effect Similarity

(2008) M. Campillos et al.   SCIENCE