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Publication search results
found 10 matches
- 2024
- Philipe Oliveira Fernandes
, Anna Letícia Teotonio Dias, Valtair Severino dos Santos Júnior
, Mateus Sá Magalhães Serafim, Yamara Viana Sousa, Gustavo Claro Monteiro, Isabel Duarte Coutinho
, Marilia Valli
, Marina Mol Sena Andrade Verzola, Flaviano Melo Ottoni, Rodrigo Maia de Pádua, Fernando Bombarda Oda
, André Gustavo dos Santos, Adriano Defini Andricopulo
, Vanderlan da Silva Bolzani, Bruno Eduardo Fernandes Mota, Ricardo José Alves, Renata Barbosa de Oliveira
, Thales Kronenberger
, Vinicius Gonçalves Maltarollo
:
Machine Learning-Based Virtual Screening of Antibacterial Agents against Methicillin-Susceptible and Resistant Staphylococcus aureus. J. Chem. Inf. Model. 64(6): 1932-1944 (2024) - 2020
- Mariana Laureano de Souza, Celso de Oliveira Rezende Junior
, Rafaela Salgado Ferreira
, Rocio Marisol Espinoza Chávez
, Leonardo L. G. Ferreira, Brian W. Slafer, Luma G. Magalhães, Renata Krogh, Glaucius Oliva
, Fabio Cardoso Cruz, Luiz Carlos Dias, Adriano D. Andricopulo
:
Discovery of Potent, Reversible, and Competitive Cruzain Inhibitors with Trypanocidal Activity: A Structure-Based Drug Design Approach. J. Chem. Inf. Model. 60(2): 1028-1041 (2020) - 2019
- Fernanda I. Saldívar-González, Marilia Valli
, Adriano D. Andricopulo, Vanderlan da Silva Bolzani
, José L. Medina-Franco
:
Chemical Space and Diversity of the NuBBE Database: A Chemoinformatic Characterization. J. Chem. Inf. Model. 59(1): 74-85 (2019) - 2017
- Anacleto Silva de Souza
, Marcelo T. de Oliveira, Adriano D. Andricopulo:
Development of a pharmacophore for cruzain using oxadiazoles as virtual molecular probes: quantitative structure-activity relationship studies. J. Comput. Aided Mol. Des. 31(9): 801-816 (2017) - 2013
- Ivani Pauli, Ricardo N. dos Santos
, Diana C. Rostirolla, Leonardo K. Martinelli, Rodrigo G. Ducati
, Luís Fernando S. M. Timmers, Luiz Augusto Basso, Diógenes Santiago Santos, Rafael V. C. Guido
, Adriano D. Andricopulo, Osmar Norberto de Souza
:
Discovery of New Inhibitors of Mycobacterium tuberculosis InhA Enzyme Using Virtual Screening and a 3D-Pharmacophore-Based Approach. J. Chem. Inf. Model. 53(9): 2390-2401 (2013) - 2010
- Matheus P. Postigo, Rafael V. C. Guido
, Glaucius Oliva
, Marcelo Santos Castilho
, Ivan da R. Pitta, Julianna F. C. de Albuquerque, Adriano D. Andricopulo:
Discovery of New Inhibitors of Schistosoma mansoni PNP by Pharmacophore-Based Virtual Screening. J. Chem. Inf. Model. 50(9): 1693-1705 (2010) - 2009
- Napoleão Fonseca Valadares, Lívia Barros Salum, Igor Polikarpov
, Adriano D. Andricopulo, Richard Garratt
:
Role of Halogen Bonds in Thyroid Hormone Receptor Selectivity: Pharmacophore-Based 3D-QSSR Studies. J. Chem. Inf. Model. 49(11): 2606-2616 (2009) - 2008
- Tiago L. Moda, Leonardo G. Torres, Alexandre E. Carrara, Adriano D. Andricopulo:
PK/DB: database for pharmacokinetic properties and predictive in silico ADME models. Bioinform. 24(19): 2270-2271 (2008) - Rafael V. C. Guido
, Glaucius Oliva
, Carlos Alberto Montanari, Adriano D. Andricopulo:
Structural Basis for Selective Inhibition of Trypanosomatid Glyceraldehyde-3-Phosphate Dehydrogenase: Molecular Docking and 3D QSAR Studies. J. Chem. Inf. Model. 48(4): 918-929 (2008) - Lívia Barros Salum, Igor Polikarpov
, Adriano D. Andricopulo:
Structure-Based Approach for the Study of Estrogen Receptor Binding Affinity and Subtype Selectivity. J. Chem. Inf. Model. 48(11): 2243-2253 (2008)
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