| Bespoke library docking for 5-HT2A receptor agonists with antidepressant activity AL Kaplan, DN Confair, K Kim, X Barros-Álvarez, RM Rodriguiz, Y Yang, ... Nature 610 (7932), 582-591, 2022 | 170 | 2022 |
| Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking M Schuller, GJ Correy, S Gahbauer, D Fearon, T Wu, RE Díaz, ID Young, ... Science advances 7 (16), eabf8711, 2021 | 150 | 2021 |
| Synthesis and biological evaluation of potential inhibitors of the cysteine proteases cruzain and rhodesain designed by molecular simplification SFP Braga, LC Martins, EB da Silva, PAS Júnior, SMF Murta, ... Bioorganic & medicinal chemistry 25 (6), 1889-1900, 2017 | 54 | 2017 |
| PyAutoFEP: An automated free energy perturbation workflow for GROMACS integrating enhanced sampling methods L Carvalho Martins, EA Cino, RS Ferreira Journal of Chemical Theory and Computation 17 (7), 4262-4273, 2021 | 28 | 2021 |
| Discovery and characterization of trypanocidal cysteine protease inhibitors from the ‘malaria box’ GAN Pereira, EB da Silva, SFP Braga, PG Leite, LC Martins, RP Vieira, ... European journal of medicinal chemistry 179, 765-778, 2019 | 28 | 2019 |
| Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations LC Martins, PHM Torres, RB de Oliveira, PG Pascutti, EA Cino, ... Journal of computer-aided molecular design 32 (5), 591-605, 2018 | 26 | 2018 |
| Synthesis of quinoline derivatives as potential cysteine protease inhibitors MMS Andrade, LC Martins, GVL Marques, CA Silva, G Faria, S Caldas, ... Future medicinal chemistry 12 (7), 571-581, 2020 | 14 | 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 | 12 | 2019 |
| Synthesis, Design, and Structure‐Activity Relationship of a Benzenesulfonylpiperazine Series against Trypanosoma cruzi AC Cassiano Martinho, D de Melo Resende, ES Landin, ... ChemMedChem 17 (19), e202200211, 2022 | 9 | 2022 |
| Experimental and computational study of aryl-thiosemicarbazones inhibiting cruzain reveals reversible inhibition and a stepwise mechanism LC Martins, RB de Oliveira, J Lameira, RS Ferreira Journal of Chemical Information and Modeling 63 (5), 1506-1520, 2023 | 6 | 2023 |
| Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci. Adv. 7, eabf8711 M Schuller, GJ Correy, S Gahbauer, D Fearon, T Wu, RE Dıaz, ID Young, ... | 6 | 2021 |
| Screening the Pathogen Box to Discover and Characterize New Cruzain and TbrCatL Inhibitors T do Valle Moreira, LC Martins, LA Diniz, TCD Bernardes, RB de Oliveira, ... Pathogens 12 (2), 251, 2023 | 5 | 2023 |
| Conformational dynamics of tetracenomycin aromatase/cyclase regulate polyketide binding and enzyme aggregation propensity VS Valadares, LC Martins, EA Roman, AP Valente, EA Cino, AH Moraes Biochimica et Biophysica Acta (BBA)-General Subjects 1865 (9), 129949, 2021 | 5 | 2021 |
| Characterization of Conformational Diversity, Stability, and Catalytic Activity of TcmN, an Enzyme Involved in Antibiotic Biosynthesis VS Valadares, LC Martins, LG Tannus, AH Moraes, EA Cino Biophysical Journal 116 (3), 37a, 2019 | 1 | 2019 |
| Characterization of the interaction between TcmN and product analogs VS Valadares, LC Martins, AH Moraes, EA Cino Biophysical Journal 121 (3), 51a, 2022 | | 2022 |
| Cruzain inhibition activity of synthetic quinoline derivatives GL Marques, M Andrade, LC Martins, CA Silva, G Faria, S Caldas, ... Galoá, 2022 | | 2022 |
| PyAutoFEP: uma ferramenta de automação para cálculos de FEP para o programa GROMACS integrando técnicas de amostragem estendida LC Martins Universidade Federal de Minas Gerais, 2021 | | 2021 |
| PyAutoFEP: an automated Python tool for setup and analysis of FEP calculations in GROMACS R Ferreira, LC Martins, E Cino Galoá, 2020 | | 2020 |
| Síntese, ensaios in vitro e estudos computacionais de aminoquinolinas possíveis inibidoras da cruzaína e rodesaína LC Martins Universidade Federal de Minas Gerais, 2016 | | 2016 |
Rafaela Salgado FerreiraBiochemistry and Immunology Department, Universidade Federal de Minas GeraisVerifierad e-postadress på icb.ufmg.br