Binding Thermodynamics and Interaction Patterns of Inhibitor-Major Urinary Protein-I Binding from Extensive Free-Energy Calculations: Benchmarking AMBER Force Fields-Reference-Cited by-同舟云学术

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

Published:2020-12-14 Issue:1 Volume:61 Page:284-297
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Huai Zhe¹,Shen Zhaoxi²,Sun Zhaoxi¹^ORCID

Affiliation:

1. State Key Laboratory of Precision Spectroscopy, School of Physics and Electronic Science, East China Normal University, Shanghai 200062, China

2. Institute of Applied Physics and Materials Engineering, University of Macau, Avenida da Universidade, Taipa, Macau 999078, China

Funder

Peking University

China Postdoctoral Science Foundation

China Scholarship Council

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c01217

Reference130 articles.

1. The lipocalin protein family: structure and function

2. Major urinary protein levels are associated with social status and context in mouse social hierarchies

3. Mice, Mups and Myths: Structure-Function Relationships of the Major Urinary Proteins

4. Comparison of Entropic Contributions to Binding in a “Hydrophilic” versus “Hydrophobic” Ligand−Protein Interaction

5. Structural and functional differences in isoforms of mouse major urinary proteins: a male-specific protein that preferentially binds a male pheromone

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