Assessment of transferable forcefields for protein simulations attests improved description of disordered states and secondary structure propensities, and hints at multi-protein systems as the next challenge for optimization
Author:
Publisher
Elsevier BV
Subject
Computer Science Applications,Genetics,Biochemistry,Structural Biology,Biophysics,Biotechnology
Reference57 articles.
1. Molecular dynamics simulations and novel drug discovery;Liu;Expert Opin Drug Discov,2018
2. Recent progress in molecular simulation methods for drug binding kinetics;Nunes-Alves;Curr Opin Struct Biol,2020
3. Applications of molecular dynamics simulation in structure prediction of peptides and proteins;Geng;Comput Struct Biotechnol J,2019
4. Visualizing protein folding and unfolding;Ferina;J Mol Biol,2019
5. How fast-folding proteins fold;Lindorff-Larsen;Science,2011
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