Determining Optimal Coarse‐Grained Representation for Biomolecules Using Internal Cluster Validation Indexes-Reference-Cited by-同舟云学术

Determining Optimal Coarse‐Grained Representation for Biomolecules Using Internal Cluster Validation Indexes

Published:2019-09-30 Issue:1 Volume:41 Page:14-20
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Wu Zhenliang¹,Zhang Yuwei¹,Zhang John Zenghui¹²^ORCID,Xia Kelin³⁴^ORCID,Xia Fei¹²^ORCID

Affiliation:

1. Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular EngineeringEast China Normal University Shanghai 200062 China

2. NYU‐ECNU Center for Computational Chemistry at NYU Shanghai Shanghai 200062 China

3. Division of Mathematical Sciences, School of Physical and Mathematical SciencesNanyang Technological University 637371 Singapore

4. School of Biological SciencesNanyang Technological University 637371 Singapore

Funder

Nanyang Technological University

National Natural Science Foundation of China

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26070

Reference52 articles.

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3. Quantitative Characterization of the Binding and Unbinding of Millimolar Drug Fragments with Molecular Dynamics Simulations

4. Coarse-Grained Protein Models and Their Applications

5. Advances in coarse-grained modeling of macromolecular complexes

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