QM/MM Calculations on Protein–RNA Complexes: Understanding Limitations of Classical MD Simulations and Search for Reliable Cost-Effective QM Methods
Author:
Affiliation:
1. Institute of Biophysics of the Czech Academy of Sciences, Královopolská 135, Brno 612 65, Czech Republic
2. CEITEC − Central European Institute of Technology, Masaryk University, Campus Bohunice, Kamenice 5, Brno 625 00, Czech Republic
Funder
European Regional Development Fund
Ministerstvo ?kolstv?, Ml?de?e a Telov?chovy
Akademie Ved Cesk? Republiky
Grantov? Agentura Cesk? Republiky
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00670
Reference77 articles.
1. RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview
2. Hfq and its constellation of RNA
3. Structure of a low-population binding intermediate in protein-RNA recognition
4. Aromatic side-chain conformational switch on the surface of the RNA Recognition Motif enables RNA discrimination
5. Can We Execute Stable Microsecond-Scale Atomistic Simulations of Protein–RNA Complexes?
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