CProMG: controllable protein-oriented molecule generation with desired binding affinity and drug-like properties

MOTIVATION: Deep learning-based molecule generation becomes a new paradigm of de novo molecule design since it enables fast and directional exploration in the vast chemical space. However, it is still an open issue to generate molecules, which bind to specific proteins with high-binding affinities w...

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Detalles Bibliográficos
Autores principales: Li, Jia-Ning, Yang, Guang, Zhao, Peng-Cheng, Wei, Xue-Xin, Shi, Jian-Yu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2023
Materias:
Macromolecular Sequence, Structure, and Function
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10311289/
https://www.ncbi.nlm.nih.gov/pubmed/37387157
http://dx.doi.org/10.1093/bioinformatics/btad222

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10311289/
https://www.ncbi.nlm.nih.gov/pubmed/37387157
http://dx.doi.org/10.1093/bioinformatics/btad222

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