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Pre-docking filter for protein and ligand 3D structures

Virtual drug screening using protein-ligand docking techniques is a time-consuming process, which requires high computational power for binding affinity calculation. There are millions of chemical compounds available for docking. Eliminating compounds that are unlikely to exhibit high binding affini...

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Detalles Bibliográficos
Autores principales: Wilantho, Alisa, Tongsima, Sissades, Jenwitheesuk, Ekachai
Formato: Texto
Lenguaje:English
Publicado: Biomedical Informatics Publishing Group 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2646187/
https://www.ncbi.nlm.nih.gov/pubmed/19255632