IVSPlat 1.0: an integrated virtual screening platform with a molecular graphical interface.

ABSTRACT:

Background

The virtual screening (VS) of lead compounds using molecular docking and pharmacophore detection is now an important tool in drug discovery. VS tasks typically require a combination of several software tools and a molecular graphics system. Thus, the integration of all the requisite tools in a single operating environment could reduce the complexity of running VS experiments. However, only a few freely available integrated software platforms have been developed.

Results

A free open-source platform, IVSPlat 1.0, was developed in this study for the management and automation of VS tasks. We integrated several VS-related programs into a molecular graphics system to provide a comprehensive platform for the solution of VS tasks based on molecular docking, pharmacophore

SUBMITTER: Sun YX 

PROVIDER: S-EPMC3264508 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature