Consensus virtual screening approaches to predict protein ligands.

[1]  David S. Goodsell,et al.  Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function , 1998, J. Comput. Chem..

[2]  Jinn-Moon Yang,et al.  GEMDOCK: A generic evolutionary method for molecular docking , 2004, Proteins.

[3]  Renxiao Wang,et al.  The PDBbind database: methodologies and updates. , 2005, Journal of medicinal chemistry.

[4]  J. Irwin,et al.  Benchmarking sets for molecular docking. , 2006, Journal of medicinal chemistry.

[5]  David S. Goodsell,et al.  A semiempirical free energy force field with charge‐based desolvation , 2007, J. Comput. Chem..

[6]  Yuan Zhao,et al.  Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge , 2007, J. Chem. Inf. Model..

[7]  Anthony Nicholls,et al.  What do we know and when do we know it? , 2008, J. Comput. Aided Mol. Des..

[8]  B. Shoichet,et al.  Molecular docking and ligand specificity in fragment-based inhibitor discovery. , 2009, Nature chemical biology.

[9]  A. Kukol,et al.  Large-scale analysis of influenza A virus sequences reveals potential drug target sites of non-structural proteins. , 2009, The Journal of general virology.

[10]  Hwangseo Park,et al.  Structure-based virtual screening approach to identify novel classes of PTP1B inhibitors. , 2009, European journal of medicinal chemistry.

[11]  Kyungik Lee,et al.  Pharmacophore modeling and virtual screening studies for new VEGFR-2 kinase inhibitors. , 2010, European journal of medicinal chemistry.

[12]  Min Zhao,et al.  Coupling of Receptor Conformation and Ligand Orientation Determine Graded Activity , 2010, Nature chemical biology.

[13]  Uko Maran,et al.  Drug efficiency indices for improvement of molecular docking scoring functions , 2010, J. Comput. Chem..

[14]  Arthur J. Olson,et al.  AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading , 2009, J. Comput. Chem..

[15]  Dariusz Plewczynski,et al.  VoteDock: Consensus docking method for prediction of protein–ligand interactions , 2011, J. Comput. Chem..