Metadynamic metainference: Enhanced sampling of the metainference ensemble using metadynamics

Accurate and precise structural ensembles of proteins and macromolecular complexes can be obtained with metainference, a recently proposed Bayesian inference method that integrates experimental information with prior knowledge and deals with all sources of errors in the data as well as with sample h...

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Bibliographic Details
Main Authors: Bonomi, Massimiliano, Camilloni, Carlo, Vendruscolo, Michele
Format: Online
Language:English
Published: Nature Publishing Group 2016
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4999896/