Further Optimization and Validation of the Classical Drude Polarizable Protein Force Field-Reference-Cited by-同舟云学术

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Further Optimization and Validation of the Classical Drude Polarizable Protein Force Field

Published:2020-04-13 Issue:5 Volume:16 Page:3221-3239
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Lin Fang-Yu¹,Huang Jing¹²^ORCID,Pandey Poonam¹,Rupakheti Chetan³,Li Jing³,Roux Benoı̂t³^ORCID,MacKerell Alexander D.¹^ORCID

Affiliation:

1. Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 Penn Street, Baltimore, Maryland 21201, United States

2. Westlake University, 18 Shilongshan Road, Hangzhou 310024, Zhejiang, China

3. Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, Illinois 60637, United States

Funder

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00057

Reference133 articles.

1. Properties of Protein Drug Target Classes

2. A decade and a half of protein intrinsic disorder: Biology still waits for physics

3. Predicting protein function from sequence and structure

4. A minimal sequence code for switching protein structure and function

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