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Journal Articles
- 2023
[j6]Talita Freitas de Freitas
, Candida Deves Roth, Bruno Lopes Abbadi, Fernanda Souza Macchi Hopf, Marcia Alberton Perelló, Alexia de Matos Czeczot, Eduardo Vieira de Souza, Ana Flávia Borsoi, Pablo Machado, Cristiano Valim Bizarro, Luiz Augusto Basso, Luís Fernando S. M. Timmers:
Identification of potential inhibitors of Mycobacterium tuberculosis shikimate kinase: molecular docking, in silico toxicity and in vitro experiments. J. Comput. Aided Mol. Des. 37(3): 117-128 (2023)- [j5]Débora Bublitz Anton, Júlia Galvez Bulhões Pedreira, Maria Luiza Zvirtes, Stefan Laufer, Rodrigo G. Ducati, Márcia Goettert, Luís Fernando S. M. Timmers:
Targeting SARS-CoV-2 Main Protease (MPro) with Kinase Inhibitors: A Promising Approach for Discovering Antiviral and Anti-inflammatory Molecules against SARS-CoV-2. J. Chem. Inf. Model. 63(13): 4138-4146 (2023) - 2022
- [j4]Ronaldo R. de Oliveira, Diana Kuhn, Daiane Heidrich, Flávio M. Shansis, Rodrigo G. Ducati, Luís Fernando S. M. Timmers:
5-HTR2B and SLC6A3 as potential molecular targets of sertraline in the treatment of major depressive disorder: the use of bioinformatics and its practical implication. Netw. Model. Anal. Health Informatics Bioinform. 11(1): 34 (2022) - 2020
- [j3]Luciano Porto Kagami, Gustavo Machado das Neves, Luís Fernando S. M. Timmers, Rafael A. Caceres, Vera Lucia Eifler-Lima:
Geo-Measures: A PyMOL plugin for protein structure ensembles analysis. Comput. Biol. Chem. 87: 107322 (2020) - 2013
- [j2]José Fernando R. Bachega, Luís Fernando S. M. Timmers, Lucas Assirati, Leonardo R. Bachega, Martin J. Field, Troy Wymore:
GTKDynamo: A PyMOL plug-in for QC/MM hybrid potential simulations. J. Comput. Chem. 34(25): 2190-2196 (2013) - [j1]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)
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