Embedding Nonrigid Solutes in an Averaged Environment: A Case Study on Rhodopsins
Author:
Affiliation:
1. Department of Physical Chemistry, University of Geneva, 1205 Geneva, Switzerland
2. Fritz Haber Center for Molecular Dynamics, Hebrew University of Jerusalem Israel, 91904 Jerusalem, Israel
Funder
Minerva Foundation
Deutsche Forschungsgemeinschaft
Hebrew University of Jerusalem
Universit? de Gen?ve
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00285
Reference81 articles.
1. Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent
2. Quantum Mechanical Continuum Solvation Models
3. COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
4. ASEP/MD: A program for the calculation of solvent effects combining QM/MM methods and the mean field approximation
5. Study of solvent effects by means of averaged solvent electrostatic potentials obtained from molecular dynamics data
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