Ligand efficiency metrics considered harmful Peter W. KennyAndrei LeitãoCarlos A. Montanari Perspective 05 June 2014 Pages: 699 - 710
FreeSolv: a database of experimental and calculated hydration free energies, with input files David L. MobleyJ. Peter Guthrie OriginalPaper 14 June 2014 Pages: 711 - 720
New insight in the structural features of haloadaptation in α-amylases from halophilic Archaea following homology modeling strategy: folded and stable conformation maintained through low hydrophobicity and highly negative charged surface Mohamed Amine ZorganiKevin PatronMickaël Desvaux OriginalPaper 28 May 2014 Pages: 721 - 734
Temperature effect on poly(dA).poly(dT): molecular dynamics simulation studies of polymeric and oligomeric constructs Sanchita MukherjeeSangeeta KunduDhananjay Bhattacharyya OriginalPaper 28 May 2014 Pages: 735 - 749
Molecular insight of isotypes specific β-tubulin interaction of tubulin heterodimer with noscapinoids Seneha SantoshiPradeep K. Naik OriginalPaper 11 June 2014 Pages: 751 - 763
Structural insight into exosite binding and discovery of novel exosite inhibitors of botulinum neurotoxin serotype A through in silico screening Xin HuPatricia M. LeglerAjit Jadhav OriginalPaper 24 June 2014 Pages: 765 - 778
Ensemble pharmacophore meets ensemble docking: a novel screening strategy for the identification of RIPK1 inhibitors S. M. FayazG. K. Rajanikant OriginalPaper 01 July 2014 Pages: 779 - 794