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PyPLIF HIPPOS and Receptor Ensemble Docking Increase the Prediction Accuracy of the Structure-Based Virtual Screening Protocol Targeting Acetylcholinesterase |
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| Authors: | Enade P. Istyastono Florentinus Dika Octa Riswanto Nunung Yuniarti Vivitri D. Prasasty Sudi Mungkasi |
| Affiliation: | 1.Faculty of Pharmacy, Sanata Dharma University, Yogyakarta 55282, Indonesia;2.Department of Pharmacology and Clinical Pharmacy, Faculty of Pharmacy, Universitas Gadjah Mada, Yogyakarta 55281, Indonesia;3.School of Basic Pharmaceutical and Toxicological Sciences, College of Pharmacy, University of Louisiana Monroe, Monroe, LA 71201, USA;4.Department of Mathematics, Faculty of Science and Technology, Sanata Dharma University, Yogyakarta 55282, Indonesia |
| Abstract: | |
| Keywords: | PyPLIF HIPPOS AutoDock Vina receptor ensemble docking machine learning drug discovery acetylcholinesterase |