Simulated Solute Tempering in Fully Polarizable Hybrid QM/MM Molecular Dynamics Simulations
Author:
Affiliation:
1. Lehrstuhl für BioMolekulare Optik, Ludwig−Maximilians Universität München, Oettingenstr. 67, 80538 München, Germany
Funder
Deutsche Forschungsgemeinschaft
Freistaat Bayern
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00951
Reference56 articles.
1. Generalized-ensemble algorithms for molecular simulations of biopolymers
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3. Simulated Tempering: A New Monte Carlo Scheme
4. Replica Monte Carlo Simulation of Spin-Glasses
5. Replica-exchange molecular dynamics method for protein folding
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