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Molecular Cavity Topological Representation for Pattern Analysis: A NLP Analogy-Based Word2Vec Method

Cavity analysis in molecular dynamics is important for understanding molecular function. However, analyzing the dynamic pattern of molecular cavities remains a difficult task. In this paper, we propose a novel method to topologically represent molecular cavities by vectorization. First, a characteri...

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Detalles Bibliográficos
Autores principales: Guo, Dongliang, Wang, Qiaoqiao, Liang, Meng, Liu, Wei, Nie, Junlan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6928730/
https://www.ncbi.nlm.nih.gov/pubmed/31795343
http://dx.doi.org/10.3390/ijms20236019