Functional group based Ligand binding affinity scoring function at atomic environmental level

Use of knowledge based scoring function (KBSF) for virtual screening and molecular docking has become an established method for drug discovery. Lack of a precise and reliable free energy function that describes several interactions including water-mediated atomic interaction between amino-acid resid...

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Detalles Bibliográficos
Autores principales: Varadwaj, Pritish Kumar, Lahiri, Tapobrata
Formato: Texto
Lenguaje:English
Publicado: Biomedical Informatics Publishing Group 2009
Materias:
Hypothesis
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2646862/
https://www.ncbi.nlm.nih.gov/pubmed/19255647

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2646862/
https://www.ncbi.nlm.nih.gov/pubmed/19255647

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