PyPLIF HIPPOS and Receptor Ensemble Docking Increase the Prediction Accuracy of the Structure-Based Virtual Screening Protocol Targeting Acetylcholinesterase

In this article, the upgrading process of the structure-based virtual screening (SBVS) protocol targeting acetylcholinesterase (AChE) previously published in 2017 is presented. The upgraded version of PyPLIF called PyPLIF HIPPOS and the receptor ensemble docking (RED) method using AutoDock Vina were...

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Detalles Bibliográficos
Autores principales: Istyastono, Enade P., Riswanto, Florentinus Dika Octa, Yuniarti, Nunung, Prasasty, Vivitri D., Mungkasi, Sudi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Communication
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9458236/
https://www.ncbi.nlm.nih.gov/pubmed/36080428
http://dx.doi.org/10.3390/molecules27175661

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9458236/
https://www.ncbi.nlm.nih.gov/pubmed/36080428
http://dx.doi.org/10.3390/molecules27175661

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