Molecular motions in drug design: the coming age of the metadynamics method Xevi BiarnésSalvatore BongarzonePaolo Ruggerone Perspective 17 February 2011 Pages: 395 - 402
Rapid discovery of inhibitors of Toxoplasma gondii using hybrid structure-based computational approach Sandhya KortagereErnest MuiWilliam J. Welsh OriginalPaper 26 February 2011 Pages: 403 - 411
Molecular dynamics simulations of pro-apoptotic BH3 peptide helices in aqueous medium: relationship between helix stability and their binding affinities to the anti-apoptotic protein Bcl-XL Dilraj LamaRamasubbu Sankararamakrishnan OriginalPaper 27 April 2011 Pages: 413 - 426
Drug discovery using very large numbers of patents. General strategy with extensive use of match and edit operations Barry RobsonJin LiStephen K. Boyer OriginalPaper 03 May 2011 Pages: 427 - 441
Rational design, synthesis and biological evaluations of amino-noscapine: a high affinity tubulin-binding noscapinoid Pradeep K. NaikBiswa Prasun ChatterjiHarish C. Joshi OriginalPaper 05 May 2011 Pages: 443 - 454
Effect of training data size and noise level on support vector machines virtual screening of genotoxic compounds from large compound libraries Pankaj KumarXiaohua MaYu Zong Chen OriginalPaper 10 May 2011 Pages: 455 - 467
Identification of novel inhibitors of mitogen-activated protein kinase phosphatase-1 with structure-based virtual screening Hwangseo ParkJeong-Yi JeonSeong Eon Ryu OriginalPaper 13 May 2011 Pages: 469 - 475
Docking glycosaminoglycans to proteins: analysis of solvent inclusion Sergey A. SamsonovJoan TeyraM. Teresa Pisabarro OriginalPaper Open access 20 May 2011 Pages: 477 - 489