Author

Ernesto Suárez

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Biophysics· 1

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Approach:deep learning· 1 Assay:multiome· 1 Research Focus:protein folding & dynamics· 1 Approach:statistical model· 1

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A. J. Pratt· 1 shared Daniel M. ZuckermaniD· 1 shared Lillian T. ChongiD· 1 shared

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2019-2019 · peak 1/yr

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1 shared paperBiophysics

A. J. Pratt

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1 paper

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BiophysicsbioRxivPreprintJun 14, 2019

Extensive Evaluation of Weighted Ensemble Strategies for Calculating Rate Constants and Binding Affinities of Molecular Association/Dissociation Processes

A. J. Pratt, Ernesto Suárez, Daniel M. Zuckerman, Lillian T. Chong

This study evaluates weighted ensemble strategies for calculating molecular association/dissociation rate constants and binding affinities, finding that heavy-weight simulations are most efficient when states are predefined.

DOI 10.1101/671172

multiomedeep learning

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