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Sampling of the conformational landscape of small proteins with Monte Carlo methods

Computer simulation provides an increasingly realistic picture of large-scale conformational change of proteins, but investigations remain fundamentally constrained by the femtosecond timestep of molecular dynamics simulations. For this reason, many biologically interesting questions cannot be addre...

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Bibliografiske detaljer
Udgivet i:Sci Rep
Main Authors: Heilmann, Nana, Wolf, Moritz, Kozlowska, Mariana, Sedghamiz, Elaheh, Setzler, Julia, Brieg, Martin, Wenzel, Wolfgang
Format: Artigo
Sprog:Inglês
Udgivet: Nature Publishing Group UK 2020
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7585447/
https://ncbi.nlm.nih.gov/pubmed/33097750
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-020-75239-7
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