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How to Determine Accurate Conformational Ensembles by Metadynamics Metainference: A Chignolin Study Case

The reliability and usefulness of molecular dynamics simulations of equilibrium processes rests on their statistical precision and their capability to generate conformational ensembles in agreement with available experimental knowledge. Metadynamics Metainference (M&M), coupling molecular dynami...

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Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:Front Mol Biosci
Egile Nagusiak: Paissoni, Cristina, Camilloni, Carlo
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: Frontiers Media S.A. 2021
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC8187852/
https://ncbi.nlm.nih.gov/pubmed/34124166
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fmolb.2021.694130
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