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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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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Heilmann, Nana, Wolf, Moritz, Kozlowska, Mariana, Sedghamiz, Elaheh, Setzler, Julia, Brieg, Martin, Wenzel, Wolfgang
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2020
Assuntos:
Acesso em linha: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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