A 3D pocket-aware and evolutionary conserved interaction guided diffusion model for molecular optimization

Fuente: arXiv

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Bibliographic Details
Main Authors:	Qiao, Anjie, Zhang, Hao, Yuan, Qianmu, Deng, Qirui, Su, Jingtian, Huang, Weifeng, Zhou, Huihao, Li, Guo-Bo, Wang, Zhen, Lei, Jinping
Format:	Preprint
Published:	2025
Subjects:	Machine Learning Chemical Physics Biomolecules
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2505.05874