Assessment of MC-PDFT Excitation Energies for a Set of QM/MM Models of Rhodopsins-Reference-Cited by-同舟云学术

Assessment of MC-PDFT Excitation Energies for a Set of QM/MM Models of Rhodopsins

Published:2019-02-05 Issue:3 Volume:15 Page:1915-1923
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Marín María del Carmen¹²^ORCID,De Vico Luca¹^ORCID,Dong Sijia S.³^ORCID,Gagliardi Laura³^ORCID,Truhlar Donald G.³^ORCID,Olivucci Massimo¹²⁴^ORCID

Affiliation:

1. Department of Biotechnologies, Chemistry and Pharmacy, University of Siena, 53100 Siena, Italy

2. Chemistry Department, Bowling Green State University, Bowling Green, 43403 Ohio, United States

3. Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States

4. USIAS Institut d’Études Avanceés, Université de Strasbourg, 67083 Strasbourg, France

Funder

Division of Chemistry

Ministero dell?Istruzione, dell?Universit? e della Ricerca

National Institute of General Medical 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.8b01069

Reference68 articles.

1. Liu, L.; Cui, G.; Fang, W.H. In Combined Quantum Mechanical and Molecular Mechanical Modelling of Biomolecular Interactions; Karabencheva-Christova, T., Ed.; Advances in protein chemistry and structural biology; Academic Press: 2015; Vol. 100, pp 255–284.

2. Computational Protein Design with Deep Learning Neural Networks

3. Modulation of thermal noise and spectral sensitivity in Lake Baikal cottoid fish rhodopsins

4. Evidence for a vibrational phase-dependent isotope effect on the photochemistry of vision

5. Optogenetics

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