3D Conformational Generative Models for Biological Structures Using Graph Information-Embedded Relative Coordinates

3D Conformational Generative Models for Biological Structures Using Graph Information-Embedded Relative Coordinates

Developing molecular generative models for directly generating 3D conformation has recently become a hot research area. Here, an autoencoder based generative model was proposed for molecular conformation generation. A unique feature of our method is that the graph information embedded relative coord...

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Bibliographic Details
Main Authors: Mingyuan Xu, Weifeng Huang, Min Xu, Jinping Lei, Hongming Chen
Format: Article
Language:English
Published: MDPI AG 2022-12-01
Series:Molecules
Subjects:
conformation sampling
generative model
Online Access:https://www.mdpi.com/1420-3049/28/1/321

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https://www.mdpi.com/1420-3049/28/1/321

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