Transferable Dynamic Molecular Charge Assignment Using Deep Neural Networks-Reference-Cited by-同舟云学术

Transferable Dynamic Molecular Charge Assignment Using Deep Neural Networks

Published:2018-07-31 Issue:9 Volume:14 Page:4687-4698
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Nebgen Benjamin¹,Lubbers Nicholas¹,Smith Justin S.¹²,Sifain Andrew E.¹³^ORCID,Lokhov Andrey¹,Isayev Olexandr⁴^ORCID,Roitberg Adrian E.²^ORCID,Barros Kipton¹,Tretiak Sergei¹^ORCID

Affiliation:

1. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

2. Department of Chemistry, University of Florida, Gainesville, Florida 32611, United States

3. Department of Physics and Astronomy, University of Southern California, Los Angeles, California 90037, United States

4. UNC Eshelman School of Pharmacy University of North Carolina Chapel Hill, Chapel Hill, North Carolina 27599, United States

Funder

Los Alamos National Laboratory

Laboratory Directed Research and Development

Office of Naval Research

Eshelman Institute for Innovation, University of North Carolina

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00524

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