Molecular Dynamics Simulation of Complex Reactivity with the Rapid Approach for Proton Transport and Other Reactions (RAPTOR) Software Package-Reference-Cited by-同舟云学术

Molecular Dynamics Simulation of Complex Reactivity with the Rapid Approach for Proton Transport and Other Reactions (RAPTOR) Software Package

Published:2024-05-14 Issue:20 Volume:128 Page:4959-4974
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Kaiser Scott¹^ORCID,Yue Zhi¹^ORCID,Peng Yuxing²,Nguyen Trung Dac³,Chen Sijia¹^ORCID,Teng Da¹^ORCID,Voth Gregory A.¹^ORCID

Affiliation:

1. Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States

2. NVIDIA Corporation, Santa Clara, California 95051, United States

3. Research Computing Center, The University of Chicago, Chicago, Illinois 60637, United States

Funder

U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES)

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.4c01987

Reference116 articles.

1. QM/MM Methods for Biomolecular Systems

2. The Role and Perspective of Ab Initio Molecular Dynamics in the Study of Biological Systems

3. Ab initiomolecular dynamics: basic concepts, current trends and novel applications

4. Molecular Dynamics Simulation for All

5. Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

Cited by 1 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. QM/CG-MM: Systematic Embedding of Quantum Mechanical Systems in a Coarse-Grained Environment with Accurate Electrostatics;The Journal of Physical Chemistry A;2024-07-17