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Neural relational inference to learn long-range allosteric interactions in proteins from molecular dynamics simulations

Name: Neural relational inference to learn long-range allosteric interactions in proteins from molecular dynamics simulations
Published: 2022-02-01
Keywords: molecular dynamics simulation

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Year: 2022

Type: dataset

Abstract: MD simulations used in the studies of the publication "Neural relational inference to learn long-range allosteric interactions in proteins from molecular dynamics simulations"

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.5941384

Authors: Zhu, Jingxuan, Wang, Juexin, Han, Weiwei, Xu, Dong

Institutions: Jilin University, University of Missouri

Language: English

Topic: Protein Structure and Dynamics

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: green

OpenAlex ID: W4393643372

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Cited by: 1

Related to: 10