Artificial Intelligence Enhanced Molecular Simulations-Reference-Cited by-同舟云学术

Artificial Intelligence Enhanced Molecular Simulations

Published:2023-06-26 Issue:14 Volume:19 Page:4338-4350
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zhang Jun¹^ORCID,Chen Dechin²^ORCID,Xia Yijie³,Huang Yu-Peng³^ORCID,Lin Xiaohan³,Han Xu³^ORCID,Ni Ningxi⁴,Wang Zidong⁴,Yu Fan⁴,Yang Lijiang³,Yang Yi Isaac²^ORCID,Gao Yi Qin¹²³^ORCID

Affiliation:

1. Changping Laboratory, Beijing 102200, China

2. Institute of Systems Biology, Shenzhen Bay Laboratory, 518055 Shenzhen, China

3. Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering, Peking University, 100871 Beijing, China

4. Huawei Hangzhou R&D Centre, Huawei Technologies Co., Ltd., Hangzhou 310052, China

Funder

National Key Research and Development Program of China

Huawei Technologies

National Natural Science Foundation of China

Chinese Association for Artificial Intelligence

CAAI-Huawei MindSpore Open Fund

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00214

Reference99 articles.

1. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

2. AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules

3. GROMACS: A message-passing parallel molecular dynamics implementation

4. NAMD: a Parallel, Object-Oriented Molecular Dynamics Program

5. Fast Parallel Algorithms for Short-Range Molecular Dynamics

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