Author

Matthew Kochert

Stony Brook UniversityORCID 0000-0003-1997-2128Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Signature Assays, Organisms & Methods

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Research Focus:clustering· 1 Approach:deep learning· 1 Approach:statistical model· 1 Research Focus:trajectory inference· 1

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Carlos L. SimmerlingiD· 1 shared Daniel R. RoeiD· 1 shared Lexin CheniD· 1 shared Ramón Alain Miranda‐QuintanaiD· 1 shared

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2024-2024 · peak 1/yr

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1 shared paperBiophysics

Carlos L. SimmerlingORCID

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1 paper

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BiophysicsJournal of Chemical Theory and ComputationPeer-reviewedJun 21, 2024

k-Means NANI: an improved clustering algorithm for Molecular Dynamics simulations

Lexin Chen, Daniel R. Roe, Matthew Kochert…·Ramón Alain Miranda‐Quintana

The paper introduces NANI, a deterministic k-means clustering algorithm for molecular dynamics simulations that improves cluster accuracy and reproducibility compared to k-means++.

40 citationstop 3%

deep learningstatistical model

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