| Application of Mangifera indica (mango) seeds as a biosorbent for removal of Victazol Orange 3R dye from aqueous solution and study of the biosorption mechanism WS Alencar, E Acayanka, EC Lima, B Royer, FE de Souza, J Lameira, ... Chemical Engineering Journal 209, 577-588, 2012 | 161 | 2012 |
| Quantitative exploration of the molecular origin of the activation of GTPase NV Plotnikov, J Lameira, A Warshel Proceedings of the National Academy of Sciences of the United States of …, 2013 | 91 | 2013 |
| Assessment of mutations on RBD in the Spike protein of SARS-CoV-2 Alpha, Delta and Omicron variants CHS da Costa, CAB de Freitas, CN Alves, J Lameira Scientific Reports 12 (1), 8540, 2022 | 83 | 2022 |
| Structural and functional features of enzymes of Mycobacterium tuberculosis peptidoglycan biosynthesis as targets for drug development GL Moraes, GC Gomes, PRM De Sousa, CN Alves, T Govender, ... Tuberculosis 95 (2), 95-111, 2015 | 83 | 2015 |
| A theoretical study of phenolic compounds with antioxidant properties M Reis, B Lobato, J Lameira, AS Santos, CN Alves European journal of medicinal chemistry 42 (4), 440-446, 2007 | 83 | 2007 |
| Exploring the potentiality of natural products from essential oils as inhibitors of odorant-binding proteins: A structure-and ligand-based virtual screening approach to find … KS da Costa, JM Galúcio, CHS da Costa, AR Santana, ... ACS omega 4 (27), 22475-22486, 2019 | 79 | 2019 |
| Methyltransferases do not work by compression, cratic, or desolvation effects, but by electrostatic preorganization J Lameira, RP Bora, ZT Chu, A Warshel Proteins: Structure, Function, and Bioinformatics 83 (2), 318-330, 2015 | 76 | 2015 |
| Mycobacterium abscessus l,d-Transpeptidases Are Susceptible to Inactivation by Carbapenems and Cephalosporins but Not Penicillins P Kumar, V Chauhan, JRA Silva, J Lameira, FB d'Andrea, SG Li, SL Ginell, ... Antimicrobial agents and chemotherapy 61 (10), 10.1128/aac. 00866-17, 2017 | 73 | 2017 |
| Structure–activity relationship study of flavone compounds with anti-HIV-1 integrase activity: A density functional theory study J Lameira, IG Medeiros, M Reis, AS Santos, CN Alves Bioorganic & medicinal chemistry 14 (21), 7105-7112, 2006 | 69 | 2006 |
| Applications of virtual screening in bioprospecting: facts, shifts, and perspectives to explore the chemo-structural diversity of natural products K Santana, LD Do Nascimento, A Lima e Lima, V Damasceno, C Nahum, ... Frontiers in Chemistry 9, 662688, 2021 | 66 | 2021 |
| A density functional study of flavonoid compounds with anti-HIV activity J Lameira, CN Alves, V Moliner, E Silla European journal of medicinal chemistry 41 (5), 616-623, 2006 | 61 | 2006 |
| Assessment of the PETase conformational changes induced by poly (ethylene terephthalate) binding CHS da Costa, AM Dos Santos, CN Alves, S Martí, V Moliner, K Santana, ... Proteins: Structure, Function, and Bioinformatics 89 (10), 1340-1352, 2021 | 56 | 2021 |
| A multivariate study on flavonoid compounds scavenging the peroxynitrite free radical AK Calgarotto, S Miotto, KM Honório, ABF Da Silva, S Marangoni, JL Silva, ... Journal of Molecular Structure: THEOCHEM 808 (1-3), 25-33, 2007 | 56 | 2007 |
| Combined kinetic studies and computational analysis on kojic acid analogs as tyrosinase inhibitors CR Lima, JRA Silva, É De Tássia Carvalho Cardoso, EO Silva, J Lameira, ... Molecules 19 (7), 9591-9605, 2014 | 55 | 2014 |
| Experimental study and computational modelling of cruzain cysteine protease inhibition by dipeptidyl nitriles AM Dos Santos, L Cianni, D De Vita, F Rosini, A Leitão, CA Laughton, ... Physical Chemistry Chemical Physics 20 (37), 24317-24328, 2018 | 53 | 2018 |
| Nitriles: an attractive approach to the development of covalent inhibitors V Bonatto, RF Lameiro, FR Rocho, J Lameira, A Leitão, CA Montanari RSC Medicinal Chemistry 14 (2), 201-217, 2023 | 42 | 2023 |
| Assessment of the cruzain cysteine protease reversible and irreversible covalent inhibition mechanism JRA Silva, L Cianni, D Araujo, PHJ Batista, D de Vita, F Rosini, A Leitao, ... Journal of chemical information and modeling 60 (3), 1666-1677, 2020 | 42 | 2020 |
| The catalytic mechanism of glyceraldehyde 3-phosphate dehydrogenase from Trypanosoma cruzi elucidated via the QM/MM approach M Reis, CN Alves, J Lameira, I Tuñón, S Martí, V Moliner Physical Chemistry Chemical Physics 15 (11), 3772-3785, 2013 | 41 | 2013 |
| Binding free energy calculations of nine FDA‐approved protease inhibitors against HIV‐1 subtype C I36T↑ T containing 100 amino acids per monomer HA Lockhat, JRA Silva, CN Alves, T Govender, J Lameira, GEM Maguire, ... Chemical biology & drug design 87 (4), 487-498, 2016 | 34 | 2016 |
| A Quantum Mechanics/Molecular Mechanics Study of the Protein−Ligand Interaction of Two Potent Inhibitors of Human O-GlcNAcase: PUGNAc and NAG-Thiazoline J Lameira, CN Alves, V Moliner, S Martí, N Kanaan, I Tuñón The journal of physical chemistry B 112 (45), 14260-14266, 2008 | 32 | 2008 |