AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-β-lactamases and indoleamine/tryptophan 2,3-dioxygenases

We herein describe AncPhore, a versatile tool for drug discovery, which is characterized by pharmacophore feature analysis and anchor pharmacophore (i.e., most important pharmacophore features) steered molecular fitting and virtual screening. Comparative analyses of numerous protein–ligand complexes...

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Detalles Bibliográficos
Autores principales: Dai, Qingqing, Yan, Yuhang, Ning, Xiangli, Li, Gen, Yu, Junlin, Deng, Ji, Yang, Lingling, Li, Guo-Bo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
Original Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8343198/
https://www.ncbi.nlm.nih.gov/pubmed/34386329
http://dx.doi.org/10.1016/j.apsb.2021.01.018

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8343198/
https://www.ncbi.nlm.nih.gov/pubmed/34386329
http://dx.doi.org/10.1016/j.apsb.2021.01.018

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