Including residual contact information into replica-exchange MD simulations significantly enriches native-like conformations

Proteins are complex biomolecules which perform critical tasks in living organisms. Knowledge of a protein’s structure is essential for understanding its physiological function in detail. Despite the incredible progress in experimental techniques, protein structure determination is still expensive,...

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Bibliographic Details
Published in:PLoS One
Main Authors: Voronin, Arthur, Weiel, Marie, Schug, Alexander
Format: Artigo
Language:Inglês
Published: Public Library of Science 2020
Subjects:
Research Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC7668583/
https://ncbi.nlm.nih.gov/pubmed/33196676
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0242072
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