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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...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
Biomedical Informatics Publishing Group
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2646187/ https://www.ncbi.nlm.nih.gov/pubmed/19255632 |