Accelerating AutoDock Vina with GPUs

Accelerating AutoDock Vina with GPUs

AutoDock Vina is one of the most popular molecular docking tools. In the latest benchmark CASF-2016 for comparative assessment of scoring functions, AutoDock Vina won the best docking power among all the docking tools. Modern drug discovery is facing a common scenario of large virtual screening of d...

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Bibliographic Details
Main Authors: Shidi Tang, Ruiqi Chen, Mengru Lin, Qingde Lin, Yanxiang Zhu, Ji Ding, Haifeng Hu, Ming Ling, Jiansheng Wu
Format: Article
Language:English
Published: MDPI AG 2022-05-01
Series:Molecules
Subjects:
AutoDock Vina
Vina-GPU
OpenCL
GPU
Online Access:https://www.mdpi.com/1420-3049/27/9/3041

Internet

https://www.mdpi.com/1420-3049/27/9/3041

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