PeptoGrid—Rescoring Function for AutoDock Vina to Identify New Bioactive Molecules from Short Peptide Libraries

Peptides are promising drug candidates due to high specificity and standout safety. Identification of bioactive peptides de novo using molecular docking is a widely used approach. However, current scoring functions are poorly optimized for peptide ligands. In this work, we present a novel algorithm...

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Detalles Bibliográficos
Autores principales: Zalevsky, Arthur O., Zlobin, Alexander S., Gedzun, Vasilina R., Reshetnikov, Roman V., Lovat, Maxim L., Malyshev, Anton V., Doronin, Igor I., Babkin, Gennady A., Golovin, Andrey V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Communication
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6359344/
https://www.ncbi.nlm.nih.gov/pubmed/30642123
http://dx.doi.org/10.3390/molecules24020277

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6359344/
https://www.ncbi.nlm.nih.gov/pubmed/30642123
http://dx.doi.org/10.3390/molecules24020277

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