Pre‐Training of Equivariant Graph Matching Networks with Conformation Flexibility for Drug Binding

The latest biological findings observe that the motionless “lock‐and‐key” theory is not generally applicable and that changes in atomic sites and binding pose can provide important information for understanding drug binding. However, the computational expenditure limits the growth of protein traject...

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Detalles Bibliográficos
Autores principales: Wu, Fang, Jin, Shuting, Jiang, Yinghui, Jin, Xurui, Tang, Bowen, Niu, Zhangming, Liu, Xiangrong, Zhang, Qiang, Zeng, Xiangxiang, Li, Stan Z.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2022
Materias:
Research Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9685463/
https://www.ncbi.nlm.nih.gov/pubmed/36202759
http://dx.doi.org/10.1002/advs.202203796

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9685463/
https://www.ncbi.nlm.nih.gov/pubmed/36202759
http://dx.doi.org/10.1002/advs.202203796

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