Accurate Estimation of Solvent Accessible Surface Area for Coarse-Grained Biomolecular Structures with Deep Learning-Reference-Cited by-同舟云学术

Accurate Estimation of Solvent Accessible Surface Area for Coarse-Grained Biomolecular Structures with Deep Learning

Published:2021-08-12 Issue:33 Volume:125 Page:9490-9498
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Dong Tiejun¹²³⁴^ORCID,Gong Tong⁴,Li Wenfei¹²³^ORCID

Affiliation:

1. National Laboratory of Solid State Microstructure, Department of Physics, and Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093, China

2. Wenzhou Institute, University of Chinese Academy of Sciences, Wenzhou, Zhejiang 325000, China

3. Oujiang Laboratory, Wenzhou, Zhejiang 325000, China

4. Institute of Drug R&D, Nanjing University, Nanjing 210093, China

Funder

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.1c05203

Reference63 articles.

1. Biomolecular Simulation: A Computational Microscope for Molecular Biology

2. Molecular dynamics simulations and drug discovery

3. Molecular dynamics simulations of biomolecules

4. Enhanced sampling techniques in molecular dynamics simulations of biological systems

5. Unified Approach to Enhanced Sampling

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