Ambient-Potential Composite Ewald Method for <i>ab Initio</i> Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulation-Reference-Cited by-同舟云学术

Ambient-Potential Composite Ewald Method for ab Initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulation

Published:2016-05-26 Issue:6 Volume:12 Page:2611-2632
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Giese Timothy J.¹,York Darrin M.¹

Affiliation:

1. Center for Integrative Proteomics Research and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854-8087, United States

Funder

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00198

Reference139 articles.

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3. Molecular dynamics simulation of nucleic acids: Successes, limitations, and promise* We would like to dedicate this article to Peter Kollman, a friend, collaborator, mentor, and all around good guy. Peter was very enthusiastic about DNA simulation; he will be sorely missed.

4. Classical Electrostatics for Biomolecular Simulations

5. Cisneros, G. A.; Babin, V.; Sagui, C.InBiomolecular Simulations: Methods and Protocols;Monticelli, L.; Salonen, E., Eds.Methods in Molecular Biology;Springer Science+Business Media:New York, 2013; Vol.924, pp243–270.

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