Resolution of Maximum Entropy Method-Derived Posterior Conformational Ensembles of a Flexible System Probed by FRET and Molecular Dynamics Simulations.
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DOI: 10.1021/acs.jctc.2c01090
Abstract: Maximum entropy methods (MEMs) determine posterior distributions by combining experimental data with prior information. MEMs are frequently used to reconstruct conformational ensembles of molecular systems for experimental information and initial molecular ensembles. We performed time-resolved… read more here.
Keywords: dynamics simulations; flexible system; conformational ensembles; molecular dynamics ... See more keywords