Work

Interaction Entropy: A New Paradigm for Highly Efficient and Reliable Computation of Protein–Ligand Binding Free Energy

Year: 2016

Type: article

Source: Journal of the American Chemical Society

DOI: 10.1021/jacs.6b02682

Authors: Lili Duan, Xiao Liu, John Z.H. Zhang

Institutions: Shandong Normal University, East China Normal University, Shanxi University, New York University Shanghai, New York University

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Drug Discovery

Field: Pharmacology, Toxicology and Pharmaceutics

Domain: Life Sciences

Open Access status: closed

Funder: National Natural Science Foundation of China

Awards: 界面水在介导蛋白激酶与抑制剂结合的物理机制及极化效应研究, 艾滋病毒蛋白酶与抑制剂相互作用的新机制理论研究, G7113590280, G7561748701

OpenAlex ID: W2325034207

FWCI: 11.57

Cites: 32

Cited by: 492

Related to: 10

Parts: 1