289 citations · 345 across the 3 of their papers we have counts for
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q-bio.BM2021
Variational embedding of protein folding simulations using gaussian mixture variational autoencoders
Mahdi Ghorbani, Samarjeet Prasad, Jeffery B. Klauda +1
Conformational sampling of biomolecules using molecular dynamics simulations often produces large amount of high dimensional data that makes it difficult to interpret using convent…
q-bio.BM2020★ 289 cited
Best Practices for Alchemical Free Energy Calculations
Antonia S. J. S. Mey, Bryce Allen, Hannah E. Bruce Macdonald +11
Alchemical free energy calculations are a useful tool for predicting free energy differences associated with the transfer of molecules from one environment to another. The hallmark…