1. FRED and HYBRID docking performance on standardized datasets

   • Mark McGann

   OriginalPaper 05 June 2012 Pages: 897 - 906

   

2. Comprehensive model of wild-type and mutant HIV-1 reverse transciptases

   • Flavio Ballante
   • Ira Musmuca
   • Rino Ragno

   OriginalPaper 26 July 2012 Pages: 907 - 919

   

3. Virtual fragment screening: exploration of MM-PBSA re-scoring

   • Sameer Kawatkar
   • Demetri Moustakas
   • Diane Joseph-McCarthy

   OriginalPaper 07 August 2012 Pages: 921 - 934

   

4. Using halogen bonds to address the protein backbone: a systematic evaluation

   • Rainer Wilcken
   • Markus O. Zimmermann
   • Frank M. Boeckler

   OriginalPaper 04 August 2012 Pages: 935 - 945

   

5. Structural prediction of a novel chitinase from the psychrophilic Glaciozyma antarctica PI12 and an analysis of its structural properties and function

   • Aizi Nor Mazila Ramli
   • Nor Muhammad Mahadi
   • Rosli Md. Illias

   OriginalPaper 19 June 2012 Pages: 947 - 961

   

6. Combining conformational sampling and selection to identify the binding mode of zinc-bound amyloid peptides with bifunctional molecules

   • Liang Xu
   • Ke Gao
   • Xicheng Wang

   OriginalPaper 25 July 2012 Pages: 963 - 976

   

7. Computer-assisted study on the reaction between pyruvate and ylide in the pathway leading to lactyl–ThDP

   • Omar Alvarado
   • Gonzalo Jaña
   • Eduardo J. Delgado

   OriginalPaper 11 July 2012 Pages: 977 - 982

   

8. Identification of common inhibitors of wild-type and T315I mutant of BCR-ABL through the parallel structure-based virtual screening

   • Hwangseo Park
   • Seunghee Hong
   • Sungwoo Hong

   OriginalPaper 11 August 2012 Pages: 983 - 992