Metadynamic metainference: Enhanced sampling of the metainference ensemble using metadynamics
نویسندگان
چکیده
منابع مشابه
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 heterogeneity. The study of complex macromolecular systems, however, requires an extensive conform...
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ژورنال
عنوان ژورنال: Scientific Reports
سال: 2016
ISSN: 2045-2322
DOI: 10.1038/srep31232