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Automating collective variable discovery from molecular dynamics simulations using machine learning

Year: 2024

Type: article

Source: Biophysical Journal

DOI: 10.1016/j.bpj.2023.11.821

Authors: Maria Margarida Gil dos Santos Silva Rosa, Myongin Oh, George Khelashvili

Institution: Weill Cornell Medicine

Language: English

Topic: Protein Structure and Dynamics

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: bronze

OpenAlex ID: W4391656933

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