Article

Deep learning for discriminating non-trivial conformational changes in molecular dynamics simulations of SARS-CoV-2 spike-ACE2

2024-05-07

Abstract excerpt

<title>Abstract</title> <p>Purpose: Molecular dynamics (MD) simulations produce a substantial volume of high-dimensional data, and traditional methods for analyzing these data pose significant computational demands. Advances in MD simulation analysis combined with deep learning-based approaches have led to the understanding of specific structural changes observed in MD trajectories, including those induced by mut...

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Literature Corpus work: f9642dee-ea7d-524b-b0ab-133d165fb695
DOI: 10.21203/rs.3.rs-4299409/v1

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