Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational Photobiology-Reference-Cited by-同舟云学术

Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational Photobiology

Published:2016-11-15 Issue:12 Volume:12 Page:6020-6034
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Melaccio Federico¹,del Carmen Marín María¹²,Valentini Alessio¹,Montisci Fabio¹,Rinaldi Silvia¹,Cherubini Marco¹,Yang Xuchun²,Kato Yoshitaka³,Stenrup Michael⁴,Orozco-Gonzalez Yoelvis²⁵⁶,Ferré Nicolas⁴,Luk Hoi Ling²,Kandori Hideki³,Olivucci Massimo¹²⁵⁶

Affiliation:

1. Department of Biotechnology, Chemistry e Pharmacy, Università di Siena, via A. Moro 2, I-53100 Siena, Italy

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

3. Department of Frontier Materials, Graduate School of Engineering, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya, Japan

4. Aix-Marseille Université, CNRS, ICR, 13284 Marseille, France

5. Institut de Physique et Chimie des Matériaux de Strasbourg, UMR 7504 Université de Strasbourg-CNRS, F-67034 Strasbourg, France

6. USIAS Institut d’Études Avancées, Université de Strasbourg, 5 allée du Général Rouvillois, F-67083 Strasbourg, France

Funder

Division of Chemistry

Agence Nationale de la Recherche

Université de Strasbourg

Japan Society for the Promotion of Science

Human Frontier Science Program

College of Arts and Sciences, Bowling Green State University

Center for Photochemical Sciences, Bowling Green State University

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00367

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4. Aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of bacteriorhodopsin proton pumping

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