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Diego E Kleiman
ORCID
Publication Activity (10 Years)
Years Active: 2023-2023
Publications (10 Years): 2
Top Topics
Monte Carlo
Molecular Dynamics
Small Molecule
Anti Inflammatory
Top Venues
The journal of physical chemistry. B
Journal of chemical theory and computation
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This page only lists publications with an associated author ORCID identifier.
Publications
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Diego E Kleiman
,
Hassan Nadeem
,
Diwakar Shukla
Adaptive Sampling Methods for Molecular Dynamics in the Era of Machine Learning.
The journal of physical chemistry. B
(2023)
Diego E Kleiman
,
Diwakar Shukla
Active Learning of the Conformational Ensemble of Proteins Using Maximum Entropy VAMPNets.
Journal of chemical theory and computation
(2023)