- eHiTS: a new fast, exhaustive flexible ligand docking systemZsolt Zsoldos
SimBioSys, Inc, 135 Queen s Plate Drive, Suite 520, Toronto, Ontario M9W 6V1, Canada
J Mol Graph Model 26:198-212. 2007..Validation results of eHiTS are presented and compared to three other docking software on a set of 91 PDB structures that are common to the validation sets published for the other programs...
- eHiTS: an innovative approach to the docking and scoring function problemsZsolt Zsoldos
SimBioSys Inc, 135 Queen s Plate Drive, Suite 520, Toronto, ON, M9W 6V1, Canada
Curr Protein Pept Sci 7:421-35. 2006..In addition a validation study is presented that demonstrates the accuracy and wide applicability of eHiTS in re-docking bound ligands into their receptors...
- Improving molecular docking through eHiTS' tunable scoring functionOrr Ravitz
SimBioSys Inc, 135 Queen s Plate Dr Unit 520, Toronto, ON, M9W 6V1, Canada
J Comput Aided Mol Des 25:1033-51. 2011....
- LASSO-ligand activity by surface similarity order: a new tool for ligand based virtual screeningDarryl Reid
SimBioSys Inc, 135 Queen s Plate Drive, Suite 520, Toronto, ON, Canada, M9W 6V1
J Comput Aided Mol Des 22:479-87. 2008..It is shown that over a wide range of receptor families, eHiTS LASSO is consistently able to enrich screened databases and provides scaffold hopping ability...
- Route Designer: a retrosynthetic analysis tool utilizing automated retrosynthetic rule generationJames Law
SimBioSys, 135 Queen s Plate Drive Unit 520, Toronto, ON M9W 6V1, Canada
J Chem Inf Model 49:593-602. 2009..The program runs on a server with a web-based user interface. An overview of the system is presented together with examples that illustrate Route Designer's utility...