Author

Tone Bengtsen

ORCID 0000-0001-8423-2156Unclaimed ORCID profile · follow to get notified of new preprints

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Approach:Bayesian inference· 1 Research Focus:protein folding & dynamics· 1

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Kresten Lindorff-LarseniD· 1 shared Sandro BottaroiD· 1 shared

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Kresten Lindorff-LarsenORCID

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BiophysicsbioRxivPreprintOct 31, 2018

Integrating Molecular Simulation and Experimental Data: A Bayesian/Maximum Entropy Reweighting Approach

Sandro Bottaro, Tone Bengtsen, Kresten Lindorff-Larsen

This paper introduces a Bayesian/Maximum Entropy method to refine molecular simulations using experimental data, producing a conformational ensemble that matches experimental values while maximizing entropy.

DOI 10.1101/457952

Bayesian inferenceprotein folding & dynamics

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