vsLab-An Implementation for Virtual High-Throughput Screening Using AutoDock and VMD

Molecular docking is a key tool in structural molecular biology and computer-assisted drug design. The goal of ligand-protein docking is to predict the predominant binding mode(s) of a ligand with a protein of known three-dimensional structure. There is much docking software that has been successful...

Full description

Bibliographic Details
Main Author: Nuno M F S A Cerqueira (author)
Other Authors: Ribeiro, J (author), Pedro A Fernandes (author), Ramos, MJ (author)
Format: article
Language:eng
Published: 2011
Subjects:
Online Access:https://hdl.handle.net/10216/95255
Country:Portugal
Oai:oai:repositorio-aberto.up.pt:10216/95255