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DOE OSTI · code-181944

iMMD

Abstract

Iterative Multiscale Molecular Dynamics in OpenMM: Accelerating Conformational Sampling of Biomolecular Systems by Iterating All-Atom and Coarse-Grained Molecular Dynamics Simulations

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BibTeXRIS

Do, Hung Nguyen [Los Alamos National Laboratory], Gnanakaran, Sandrasegaram, McKenzie, Joseph. 2026-05-04. iMMD. https://doi.org/10.11578/dc.20260529.10

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