Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock Ann E. ClevesAjay N. Jain OriginalPaper Open access 05 May 2015 Pages: 485 - 509
An integrated suite of modeling tools that empower scientists in structure- and property-based drug design Jianwen A. FengIgnacio AliagasAlberto Gobbi OriginalPaper 29 April 2015 Pages: 511 - 523
Computational and biophysical approaches to protein–protein interaction inhibition of Plasmodium falciparum AMA1/RON2 complex Emilie PihanRoberto F. DelgadilloDominique Douguet OriginalPaper 31 March 2015 Pages: 525 - 539
Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC–MurF): experimental and computational characterization Andrej PerdihMartina HrastGerhard Wolber OriginalPaper 08 April 2015 Pages: 541 - 560
Combining docking-based comparative intermolecular contacts analysis and k-nearest neighbor correlation for the discovery of new check point kinase 1 inhibitors Nour Jamal JaradatMohammad A. KhanfarMutasem Omar Taha OriginalPaper 09 May 2015 Pages: 561 - 581
