Four-body atomic potential for modeling protein-ligand binding affinity: application to enzyme-inhibitor binding energy prediction

BACKGROUND: Models that are capable of reliably predicting binding affinities for protein-ligand complexes play an important role the field of structure-guided drug design. METHODS: Here, we begin by applying the computational geometry technique of Delaunay tessellation to each set of atomic coordin...

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Detalles Bibliográficos
Autor principal: Masso, Majid
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2013
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3952120/
https://www.ncbi.nlm.nih.gov/pubmed/24564918
http://dx.doi.org/10.1186/1472-6807-13-S1-S1

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3952120/
https://www.ncbi.nlm.nih.gov/pubmed/24564918
http://dx.doi.org/10.1186/1472-6807-13-S1-S1

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