Work

Binding Thermodynamics and Interaction Patterns of Inhibitor-Major Urinary Protein-I Binding from Extensive Free-Energy Calculations: Benchmarking AMBER Force Fields

Year: 2020

Type: article

Source: Journal of Chemical Information and Modeling

DOI: 10.1021/acs.jcim.0c01217

Authors: Zhe Huai, Zhaoxi Shen, Zhaoxi Sun

Institutions: State Key Laboratory of Precision Spectroscopy Science and Technology, East China Normal University, University of Macau

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Drug Discovery

Field: Pharmacology, Toxicology and Pharmaceutics

Domain: Life Sciences

Open Access status: closed

Funders: China Postdoctoral Science Foundation, China Scholarship Council, Peking University

OpenAlex ID: W3110650436

FWCI: 1.442

Cites: 130

Cited by: 38

Related to: 10