Docking based Virtural Screening with MolAr - 课题组新闻

From http://drugdiscovery.com.br/software/

MolAr

MolAr is a software for virtual screening. MolAr carry out the entire Virtual Screening process, from protein preparation (homology modeling, ligands refinement, protonation) to Virtual Screening. It has intuitive interfaces, which makes unnecessary the need for advanced computing knowledge, making it accessible tool for a wider range of people.

by Drug Discovery Group

Tutorial Installation Instructions Download

Octopus

Octopus is a software for virtual screening (VS). It can perform fast and friendly docking simulation. Differently from others VS platforms, Octopus can perform docking simulations of unlimited number of compounds into a set of molecular targets.

by Drug Discovery Group

See More Download

RunMopac

RunMopac is a software for ligand refinement for virtual screening.