Virtual High-Throughput Screening (vHTS) Platform (Université de Sherbrooke)

Mots clés: Modélisation moléculaire, amarrage de petites molécules.

Keywords: Molecular modeling, Small molecule docking.

Description

The technology of our virtual screening platform lies on the use of our in-house developed genetic-algorithm based FlexAID docking program. FlexAID can dock fully flexible small molecules or peptides into proteins or RNA. In the case of protein targets, one can take in consideration side-chain flexibility with the use of rotamer librairies and (in the near future) backbone flexibility with the use if conformational ensembles generated with normal modes.

Nous joindre

Rafael Najmanovich

Université de Sherbrooke, Département de biochimie

819-820-6868, poste 12374

rafael.najmanovich@usherbrooke.ca

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