| Integrating molecular docking and molecular dynamics simulations LHS Santos, RS Ferreira, ER Caffarena Docking screens for drug discovery, 13-34, 2019 | 139 | 2019 |
| A guide to performing systematic literature reviews in bioinformatics DCB Mariano, C Leite, LHS Santos, REO Rocha, RC de Melo-Minardi arXiv preprint arXiv:1707.05813, 2017 | 53 | 2017 |
| nAPOLI: a graph-based strategy to detect and visualize conserved protein-ligand interactions in large-scale AV Fassio, LH Santos, SA Silveira, RS Ferreira, RC de Melo-Minardi IEEE/ACM transactions on computational biology and bioinformatics 17 (4 …, 2019 | 41 | 2019 |
| Computational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitors LH Santos, RS Ferreira, ER Caffarena Memórias do Instituto Oswaldo Cruz 110, 847-864, 2015 | 35 | 2015 |
| Characterization of glucose-tolerant β-glucosidases used in biofuel production under the bioinformatics perspective: A systematic review DCB Mariano, C Leite, LHS Santos, LF Marins, KS Machado, AV Werhli, ... Genet Mol Res 16 (3), 10.4238, 2017 | 33 | 2017 |
| Propedia: a database for protein–peptide identification based on a hybrid clustering algorithm PM Martins, LH Santos, D Mariano, FC Queiroz, LL Bastos, IS Gomes, ... BMC bioinformatics 22, 1-20, 2021 | 28 | 2021 |
| Understanding structure–activity relationships for trypanosomal cysteine protease inhibitors by simulations and free energy calculations LH Santos, BJ Waldner, JE Fuchs, GAN Pereira, KR Liedl, ER Caffarena, ... Journal of Chemical Information and Modeling 59 (1), 137-148, 2018 | 27 | 2018 |
| Introducing programming skills for life science students D Mariano, P Martins, L Helene Santos, RC de Melo‐Minardi Biochemistry and Molecular Biology Education 47 (3), 288-295, 2019 | 24 | 2019 |
| Structure-Based Identification of Naphthoquinones and Derivatives as Novel Inhibitors of Main Protease Mpro and Papain-like Protease PLpro of SARS-CoV-2 LH Santos, T Kronenberger, RG Almeida, EB Silva, REO Rocha, ... Journal of Chemical Information and Modeling 62 (24), 6553-6573, 2022 | 21 | 2022 |
| A computational method to propose mutations in enzymes based on structural signature variation (SSV) DCB Mariano, LH Santos, KS Machado, AV Werhli, LHF de Lima, ... International journal of molecular sciences 20 (2), 333, 2019 | 16 | 2019 |
| Proteingo: motivation, user experience, and learning of molecular interactions in biological complexes MFM Silva, PM Martins, DCB Mariano, LH Santos, I Pastorini, N Pantuza, ... Entertainment Computing 29, 31-42, 2019 | 15 | 2019 |
| Glutantβase: a database for improving the rational design of glucose-tolerant β-glucosidases D Mariano, N Pantuza, LH Santos, REO Rocha, LHF de Lima, L Bleicher, ... BMC Molecular and Cell Biology 21, 1-15, 2020 | 13 | 2020 |
| Docking Screens for Drug Discovery LH Santos, RS Ferreira, ER Caffarena Springer, 2019 | 13 | 2019 |
| Structural insights into NS5B protein of novel equine hepaciviruses and pegiviruses complexed with polymerase inhibitors PPLF de Albuquerque, LHS Santos, D Antunes, ER Caffarena, ... Virus Research 278, 197867, 2020 | 11 | 2020 |
| Benzimidazole inhibitors of the major cysteine protease of Trypanosoma brucei GAN Pereira, LH Santos, SC Wang, LC Martins, FS Villela, W Liao, ... Future Medicinal Chemistry 11 (13), 1537-1551, 2019 | 11 | 2019 |
| Pragmatic Coarse-Graining of Proteins: Models and Applications L Borges-Araújo, I Patmanidis, AP Singh, LHS Santos, AK Sieradzan, ... Journal of Chemical Theory and Computation 19 (20), 7112-7135, 2023 | 10 | 2023 |
| The SIRAH force field: a suite for simulations of complex biological systems at the coarse-grained and multiscale levels F Klein, M Soñora, LH Santos, EN Frigini, A Ballesteros-Casallas, ... Journal of Structural Biology, 107985, 2023 | 10 | 2023 |
| Antigenic and Substrate Preference Differences between Scorpion and Spider Dermonecrotic Toxins, a Comparative Investigation R Ben Yekhlef, L Felicori, LH Santos, C FB Oliveira, R Fadhloun, E Torabi, ... Toxins 12 (10), 631, 2020 | 9 | 2020 |
| Shared Binding Mode of Perrottetinene and Tetrahydrocannabinol Diastereomers inside the CB1 Receptor May Incentivize Novel Medicinal Drug Design: Findings from an in Silico Assay MH Reis, D Antunes, LHS Santos, ACR Guimarães, ER Caffarena ACS Chemical Neuroscience 11 (24), 4289-4300, 2020 | 8 | 2020 |
| Proteus: An algorithm for proposing stabilizing mutation pairs based on interactions observed in known protein 3D structures JRMS Barroso, D Mariano, SR Dias, REO Rocha, LH Santos, ... BMC bioinformatics 21, 1-21, 2020 | 7 | 2020 |
Diego MarianoLecturer at UFMGGeverifieerd e-mailadres voor ufmg.br
