Replica-Based Protein Structure Sampling Methods: Compromising between Explicit and Implicit Solvents
Author:
Affiliation:
1. Institut für Biochemie, Ernst-Moritz-Arndt-Universität Greifswald, Felix-Hausdorff-Straße 4, 17487 Greifswald, Germany
Funder
North-German Supercomputing Alliance
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.8b05178
Reference63 articles.
1. Intrinsically unstructured proteins and their functions
2. Intrinsically disordered proteins in cellular signalling and regulation
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4. Multidimensional replica-exchange method for free-energy calculations
5. On the Hamiltonian replica exchange method for efficient sampling of biomolecular systems: Application to protein structure prediction
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