Online Boosted Gaussian Learners for In-Situ Detection and Characterization of Protein Folding States in Molecular Dynamics Simulations

Harshita Sahni, Hector Carrillo-Cabada, Ekaterina D. Kots, Silvina CaĆ­no-Lores, Jack Marquez, Ewa Deelman, Michel A. Cuendet, Harel Weinstein, Michela Taufer, Trilce Estrada. Online Boosted Gaussian Learners for In-Situ Detection and Characterization of Protein Folding States in Molecular Dynamics Simulations. In 19th IEEE International Conference on e-Science, e-Science 2023, Limassol, Cyprus, October 9-13, 2023. pages 1-10, IEEE, 2023. [doi]

Abstract

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