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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...

Deskribapen osoa

Gorde:
Egile Nagusiak: Enade P. Istyastono, Nunung Yuniarti, Vivitri D. Prasasty, Sudi Mungkasi
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: MDPI AG 2021-04-01
Saila:Molecules
Gaiak:
PyPLIF HIPPOS
AutoDock Vina
drug discovery
fragment-based
molecular determinant
G protein-coupled receptor
Sarrera elektronikoa:https://www.mdpi.com/1420-3049/26/9/2452
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