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Learning committor-consistent collective variables

delete2025-07-22
delete0
PRE
AI
T
Thorben Fröhlking
S
Simone Aureli
F
Francesco Luigi Gervasio *
DOI：10.1038/s43588-025-00834-5delete
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Abstract

Abstract

En 中文
An artificial neural network-based strategy is developed to learn committor-consistent transition pathways, providing insight into rare events in biomolecular systems.
Keywords:
artificial neural network
committor
transition pathways
biomolecular systems
collective variables

Journal

Nature Computational Science cover
Nature Computational Science
IF:
18.3
Papers:
3.1K
Citations:
4.0K

Organization

U
university of geneva
Scholars:
3.6W
Papers: 2.9W
Citations: 35