Combining Machine Learning Systems and Multiple Docking Simulation Packages to Improve Docking Prediction Reliability for Network Pharmacology

Systems Pharmacology to Predict Drug Toxicity: Integration Across Levels of Biological Organization

(2012) Jane P.F. Bai et al.   Annual Review of Pharmacology and Toxicology

Designing drugs with multi-target activity: the next step in the treatment of neurodegenerative disorders

(2012) Werner J Geldenhuys et al.   Expert Opinion on Drug Discovery

Cutaneous side effects of inhibitors of the RAS/RAF/MEK/ERK signalling pathway and their management

(2012) I. Manousaridis et al.   JOURNAL OF THE EUROPEAN ACADEMY OF DERMATOLOGY AND VENEREOLOGY

The RCSB Protein Data Bank: new resources for research and education

(2012) Peter W. Rose et al.   NUCLEIC ACIDS RESEARCH

Combination of MEK and SRC inhibition suppresses melanoma cell growth and invasion

(2012) J Ferguson et al.   ONCOGENE

Open Babel: An open chemical toolbox

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

A machine learning approach to predicting protein–ligand binding affinity with applications to molecular docking

(2010) Pedro J. Ballester et al.   BIOINFORMATICS

Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database

(2010) Dariusz Plewczynski et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

VoteDock: Consensus docking method for prediction of protein-ligand interactions

(2010) Dariusz Plewczynski et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A comprehensive map of the mTOR signaling network

(2010) Etienne Caron et al.   Molecular Systems Biology

Sunitinib-Induced Cardiotoxicity Is Mediated by Off-Target Inhibition of AMP-Activated Protein Kinase

(2009) Risto Kerkela et al.   CTS-Clinical and Translational Science

A chemogenomic approach to drug discovery: focus on cardiovascular diseases

(2009) Montserrat Cases et al.   DRUG DISCOVERY TODAY

Comparative Assessment of Scoring Functions on a Diverse Test Set

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

Docking Ligands into Flexible and Solvated Macromolecules. 4. Are Popular Scoring Functions Accurate for this Class of Proteins?

(2009) Pablo Englebienne et al.   Journal of Chemical Information and Modeling

Molecular docking and ligand specificity in fragment-based inhibitor discovery

(2009) Yu Chen et al.   Nature Chemical Biology

Drug Discovery Using Chemical Systems Biology: Identification of the Protein-Ligand Binding Network To Explain the Side Effects of CETP Inhibitors

(2009) Li Xie et al.   PLoS Computational Biology

Consensus Scoring with Feature Selection for Structure-Based Virtual Screening

(2008) Reiji Teramoto et al.   Journal of Chemical Information and Modeling

A quantitative analysis of kinase inhibitor selectivity

(2008) Mazen W Karaman et al.   NATURE BIOTECHNOLOGY