A Reactive Force Field for Molecular Dynamics Simulations of Glucose in Aqueous Solution-Reference-Cited by-同舟云学术

A Reactive Force Field for Molecular Dynamics Simulations of Glucose in Aqueous Solution

Published:2023-06-12 Issue:13 Volume:19 Page:4286-4298
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Cui Hongqiang¹²,Lai Rui¹^ORCID,Yuan Shengwei¹²,Liao Chenyi¹^ORCID,Wang Anhui¹^ORCID,Li Guohui¹^ORCID

Affiliation:

1. Laboratory of Molecular Modeling and Design, State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, P. R. China

2. Chinese Academy of Sciences, University of Chinese Academy of Sciences, Beijing 100049, P. R. China

Funder

National Key Research and Development Program of China

National Natural Science Foundation of China

Chinese Academy of 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.3c00013

Reference62 articles.

1. ReaxFF: A Reactive Force Field for Hydrocarbons

2. ReaxFFSiO Reactive Force Field for Silicon and Silicon Oxide Systems

3. ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

4. The ReaxFF reactive force-field: development, applications and future directions

5. Development of a ReaxFF Reactive Force Field for Glycine and Application to Solvent Effect and Tautomerization

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