Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12779/6825
Title: An average solvent electrostatic configuration protocol for QM/MM Free Energy Optimization: implementation and application to rhodopsin systems
Authors: Orozco-Gonzalez, Yoelvis
Manathunga, Madushanka
Marin Perez, Maria Del Carmen 
Agathangelou, Damianos
Jung, Kwang-Hwan
Melaccio, Federico
Ferré, Nicolas
Haacke, Stefan
Coutinho, Kaline
Canuto, Sylvio
Olivucci, Massimo 
Keywords: Computer Science Applications1707 Computer Vision and Pattern Recognition; Physical and Theoretical Chemistry
Issue Date: 2017
Project: None 
Journal: JOURNAL OF CHEMICAL THEORY AND COMPUTATION
Description: 
130100
URI: http://hdl.handle.net/20.500.12779/6825
ISSN: 1549-9618
DOI: 10.1021/acs.jctc.7b00860
Appears in Collections:Publications

Show full item record

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.