Fully automated virtual screening pipeline of FDA-approved drugs using Caver Web

Protein tunnels are essential in transporting small molecules into the active sites of enzymes. Tunnels' geometrical and physico-chemical properties influence the transport process. The tunnels are attractive hot spots for protein engineering and drug development. However, studying the ligand b...

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Detalles Bibliográficos
Autores principales: Musil, Milos, Jezik, Andrej, Jankujova, Marie, Stourac, Jan, Galgonek, Jakub, Mustafa Eyrilmez, Saltuk, Vondrasek, Jiri, Damborsky, Jiri, Bednar, David
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Research Network of Computational and Structural Biotechnology 2022
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9705369/
https://www.ncbi.nlm.nih.gov/pubmed/36467577
http://dx.doi.org/10.1016/j.csbj.2022.11.031

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