Work

Input Pose is Key to Performance of Free Energy Perturbation: Benchmarking with Monoacylglycerol Lipase

Year: 2024

Type: article

Source: Journal of Chemical Information and Modeling

DOI: 10.1021/acs.jcim.4c01223

Authors: Donya Ohadi, Kiran Kumar, Suchitra Ravula, Renee L. DesJarlais, Mark J. Seierstad, Amy Y. Shih, Michael D. Hack, Jamie M. Schiffer

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: closed

OpenAlex ID: W4404527276

FWCI: 1.404

Cites: 45

Cited by: 7

Related to: 10