Automatically Constructed Neural Network Potentials for Molecular Dynamics Simulation of Zinc Proteins

The development of accurate and efficient potential energy functions for the molecular dynamics simulation of metalloproteins has long been a great challenge for the theoretical chemistry community. An artificial neural network provides the possibility to develop potential energy functions with both...

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Detalles Bibliográficos
Autores principales: Xu, Mingyuan, Zhu, Tong, Zhang, John Z. H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8249736/
https://www.ncbi.nlm.nih.gov/pubmed/34222200
http://dx.doi.org/10.3389/fchem.2021.692200

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8249736/
https://www.ncbi.nlm.nih.gov/pubmed/34222200
http://dx.doi.org/10.3389/fchem.2021.692200

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