GTKDynamo: A PyMOL plug-in for QC/MM hybrid potential simulations. - José Fernando R. Bachega; Luís Fernando S. M. Timmers; Lucas Assirati; Leonardo R. Bachega; Martin J. Field; Troy Wymore (J. Comput. Chem., 2013)

Discovery of New Inhibitors of Mycobacterium tuberculosis InhA Enzyme Using Virtual Screening and a 3D-Pharmacophore-Based Approach. - 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 (J. Chem. Inf. Model., 2013)

Geo-Measures: A PyMOL plugin for protein structure ensembles analysis. - Luciano Porto Kagami; Gustavo Machado das Neves; Luís Fernando S. M. Timmers; Rafael A. Caceres; Vera Lucia Eifler-Lima (Comput. Biol. Chem., 2020)

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. - Ronaldo R. de Oliveira; Diana Kuhn; Daiane Heidrich; Flávio M. Shansis; Rodrigo G. Ducati; Luís Fernando S. M. Timmers (Netw. Model. Anal. Health Informatics Bioinform., 2022)

Identification of potential inhibitors of Mycobacterium tuberculosis shikimate kinase: molecular docking, in silico toxicity and in vitro experiments. - 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 (J. Comput. Aided Mol. Des., 2023)

Targeting SARS-CoV-2 Main Protease (MPro) with Kinase Inhibitors: A Promising Approach for Discovering Antiviral and Anti-inflammatory Molecules against SARS-CoV-2. - Débora Bublitz Anton; Júlia Galvez Bulhões Pedreira; Maria Luiza Zvirtes; Stefan Laufer; Rodrigo G. Ducati; Márcia Goettert; Luís Fernando S. M. Timmers (J. Chem. Inf. Model., 2023)