| Ementa/Descrição: |
Interações intermoleculares, grupos farmacofóricos, regra dos 5, mecânica molecular, preparação de ligantes (tautomerismo), preparação do receptor, uso dos programas Autodock Vina, Dock 6 e pharmit, avaliação dos experimentos de vHTS. |
| Referências: |
Walters WP, Stahl MT, Murcko MA (1998). "Virtual screening – an overview". Drug Discov. Today. 3 (4): 160–178. doi:10.1016/S1359-6446(97)01163-X
Santana K, do Nascimento LD, Lima e Lima A, Damasceno V, Nahum C, Braga RC, et al. (2021-04-29). "Applications of Virtual Screening in Bioprospecting: Facts, Shifts, and Perspectives to Explore the Chemo-Structural Diversity of Natural Products". Frontiers in Chemistry. 9: 662688. Bibcode:2021FrCh....9..155S. doi:10.3389/fchem.2021.662688. ISSN 2296-2646. PMC 8117418. PMID 33996755
Alsenan S, Al-Turaiki I, Hafez A (December 2020). "A Recurrent Neural Network model to predict blood-brain barrier permeability". Computational Biology and Chemistry. 89: 107377. doi:10.1016/j.compbiolchem.2020.107377. PMID 33010784.
Lang S, Slater MJ (May 2024). "Virtual Screening Strategies for Identifying Novel Chemotypes". Journal of Medicinal Chemistry. 67 (9): 6897–6898. doi:10.1021/acs.jmedchem.4c00906. PMID 38654500.
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