Toward a Transferable Representation of Protein Dynamics for Functional Prediction and Mechanistic Discovery
Nahid Monowar
· Research Square · 0 citations
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Toward a Transferable Representation of Protein Dynamics for Functional Prediction and Mechanistic Discovery
Protein function is determined not only by the static structure of molecules, but also by coordinated conformational fluctuations that occur across various spatial and temporal scales. Molecular dynamics simulations, elastic network models, principal component analysis, and related approaches offer useful descriptions...
Nahid Monowar, Lutfi Habiba
· bioRxiv · 0 citations