FRED and HYBRID docking performance on standardized datasets Mark McGann OriginalPaper 05 June 2012 Pages: 897 - 906
Comprehensive model of wild-type and mutant HIV-1 reverse transciptases Flavio BallanteIra MusmucaRino Ragno OriginalPaper 26 July 2012 Pages: 907 - 919
Virtual fragment screening: exploration of MM-PBSA re-scoring Sameer KawatkarDemetri MoustakasDiane Joseph-McCarthy OriginalPaper 07 August 2012 Pages: 921 - 934
Using halogen bonds to address the protein backbone: a systematic evaluation Rainer WilckenMarkus O. ZimmermannFrank M. Boeckler OriginalPaper 04 August 2012 Pages: 935 - 945
Structural prediction of a novel chitinase from the psychrophilic Glaciozyma antarctica PI12 and an analysis of its structural properties and function Aizi Nor Mazila RamliNor Muhammad MahadiRosli Md. Illias OriginalPaper 19 June 2012 Pages: 947 - 961
Combining conformational sampling and selection to identify the binding mode of zinc-bound amyloid peptides with bifunctional molecules Liang XuKe GaoXicheng Wang OriginalPaper 25 July 2012 Pages: 963 - 976
Computer-assisted study on the reaction between pyruvate and ylide in the pathway leading to lactyl–ThDP Omar AlvaradoGonzalo JañaEduardo J. Delgado OriginalPaper 11 July 2012 Pages: 977 - 982
Identification of common inhibitors of wild-type and T315I mutant of BCR-ABL through the parallel structure-based virtual screening Hwangseo ParkSeunghee HongSungwoo Hong OriginalPaper 11 August 2012 Pages: 983 - 992