Superior Performance of the SQM/COSMO Scoring Functions in Native Pose Recognition of Diverse Protein–Ligand Complexes in Cognate Docking

[Image: see text] General and reliable description of structures and energetics in protein–ligand (PL) binding using the docking/scoring methodology has until now been elusive. We address this urgent deficiency of scoring functions (SFs) by the systematic development of corrected semiempirical quant...

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Detalles Bibliográficos
Autores principales: Ajani, Haresh, Pecina, Adam, Eyrilmez, Saltuk M., Fanfrlík, Jindřich, Haldar, Susanta, Řezáč, Jan, Hobza, Pavel, Lepšík, Martin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6044937/
https://www.ncbi.nlm.nih.gov/pubmed/30023710
http://dx.doi.org/10.1021/acsomega.7b00503

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6044937/
https://www.ncbi.nlm.nih.gov/pubmed/30023710
http://dx.doi.org/10.1021/acsomega.7b00503

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