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PyPLIF HIPPOS-Assisted Prediction of Molecular Determinants of Ligand Binding to Receptors

Identification of molecular determinants of receptor-ligand binding could significantly increase the quality of structure-based virtual screening protocols. In turn, drug design process, especially the fragment-based approaches, could benefit from the knowledge. Retrospective virtual screening campa...

Täydet tiedot

Tallennettuna:
Päätekijät: Enade P. Istyastono, Nunung Yuniarti, Vivitri D. Prasasty, Sudi Mungkasi
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: MDPI AG 2021-04-01
Sarja:Molecules
Aiheet:
PyPLIF HIPPOS
AutoDock Vina
drug discovery
fragment-based
molecular determinant
G protein-coupled receptor
Linkit:https://www.mdpi.com/1420-3049/26/9/2452
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