An accurate and universal protein-small molecule batch docking solution using Autodock Vina

As an important theoretical computation method in computer-aided drug design, molecular docking has significantly shifted the paradigm of drug discovery. As one of the open-source docking software, Autodock Vina (Vina) is widely popular, but the lack of relevant experience and inappropriate docking...

Full description

Bibliographic Details
Main Authors: Xinhao Che, Qilei Liu, Lei Zhang
Format: Article
Language:English
Published: Elsevier 2023-09-01
Series:Results in Engineering
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2590123023004620