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Auto In Silico Ligand Directing Evolution to Facilitate the Rapid and Efficient Discovery of Drug Lead

Motivated by the growing demand for reducing the chemical optimization burden of H2L, we developed auto in silico ligand directing evolution (AILDE, http://chemyang.ccnu.edu.cn/ccb/server/AILDE), an efficient and general approach for the rapid identification of drug leads in accessible chemical spac...

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Detalles Bibliográficos
Autores principales: Wu, Fengxu, Zhuo, Linsheng, Wang, Fan, Huang, Wei, Hao, Gefei, Yang, Guangfu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7267738/
https://www.ncbi.nlm.nih.gov/pubmed/32498019
http://dx.doi.org/10.1016/j.isci.2020.101179