| 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 | 66 | 2019 |
| Predicting cell-penetrating peptides using machine learning algorithms and navigating in their chemical space ECL de Oliveira, K Santana, L Josino, AH Lima e Lima, ... Scientific reports 11 (1), 7628, 2021 | 59 | 2021 |
| 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 | 51 | 2021 |
| Insight into the interaction mechanism of nicotine, NNK, and NNN with cytochrome P450 2A13 based on molecular dynamics simulation J Neves Cruz, M Santana de Oliveira, S Gomes Silva, ... Journal of Chemical Information and Modeling 60 (2), 766-776, 2019 | 48 | 2019 |
| Structural analysis of viral infectivity factor of HIV type 1 and its interaction with A3G, EloC and EloB KS da Costa, E Leal, AM dos Santos, AH Lima e Lima, CN Alves, ... PLoS One 9 (2), e89116, 2014 | 25 | 2014 |
| Targeting shikimate pathway: In silico analysis of phosphoenolpyruvate derivatives as inhibitors of EPSP synthase and DAHP synthase MD de Oliveira, JO Araujo, JMP Galúcio, K Santana, AH Lima Journal of Molecular Graphics and Modelling 101, 107735, 2020 | 22 | 2020 |
| Biological membrane-penetrating peptides: computational prediction and applications ECL de Oliveira, KS da Costa, PS Taube, AH Lima, CSS Junior Frontiers in Cellular and Infection Microbiology 12, 838259, 2022 | 20 | 2022 |
| Compostagem de resíduos sólidos orgânicos como tema incentivador de educação ambiental GAA de Lima, CAC Dias, AH Lima Scientia Plena 12 (6), 2016 | 18 | 2016 |
| Investigation of the target-site resistance of EPSP synthase mutants P106T and T102I/P106S against glyphosate ECM Fonseca, KS da Costa, J Lameira, CN Alves, AH Lima RSC advances 10 (72), 44352-44360, 2020 | 16 | 2020 |
| Catalysis by solvation rather than the desolvation effect: Exploring the catalytic efficiency of SAM-dependent chlorinase E Araújo, AH Lima, J Lameira Physical Chemistry Chemical Physics 19 (32), 21350-21356, 2017 | 16 | 2017 |
| Molecular Modeling of T. rangeli, T. brucei gambiense, and T. evansi Sialidases in Complex with the DANA Inhibitor AH Lima, PRM Souza, N Alencar, J Lameira, T Govender, HG Kruger, ... Chemical Biology & Drug Design 80 (1), 114-120, 2012 | 16 | 2012 |
| Exploring chloride selectivity and halogenase regioselectivity of the sall enzyme through quantum mechanical/molecular mechanical modeling PRM Pereira, JO Araújo, JRA Silva, CN Alves, J Lameira, AH Lima Journal of Chemical Information and Modeling 60 (2), 738-746, 2020 | 15 | 2020 |
| Structural, energetic and lipophilic analysis of SARS-CoV-2 non-structural protein 9 (NSP9) J de O. Araújo, S Pinheiro, WJ Zamora, CN Alves, J Lameira, AH Lima Scientific Reports 11 (1), 23003, 2021 | 14 | 2021 |
| Constituents of Chamaecrista diphylla (L.) Greene Leaves with Potent Antioxidant Capacity: A Feature-Based Molecular Network Dereplication Approach P Gomes, L Quirós-Guerrero, A Muribeca, J Reis, S Pamplona, AH Lima, ... Pharmaceutics 13 (5), 681, 2021 | 13 | 2021 |
| Unraveling the conformational dynamics of glycerol 3-phosphate dehydrogenase, a nicotinamide adenine dinucleotide-dependent enzyme of Leishmania mexicana CHS Costa, TW Bichara, GC Gomes, AM Dos Santos, KS da Costa, ... Journal of Biomolecular Structure and Dynamics 39 (6), 2044-2055, 2021 | 13 | 2021 |
| Computational study of conformational changes in human 3-hydroxy-3-methylglutaryl coenzyme reductase induced by substrate binding CHS Costa, ARS Oliveira, AM Dos Santos, KS da Costa, AHL e Lima, ... Journal of Biomolecular Structure and Dynamics, 2019 | 12 | 2019 |
| Targeting peptidyl-prolyl cis-trans isomerase NIMA-interacting 1: a structure-based virtual screening approach to find novel inhibitors KS da Costa, JM Galúcio, DA de Jesus, GC Gomes, AH Lima e Lima, ... Current Computer-Aided Drug Design 16 (5), 605-617, 2020 | 11 | 2020 |
| Computational Investigation of Bisphosphate Inhibitors of 3-Deoxy-d-manno-octulosonate 8-phosphate Synthase JO Araújo, AM Dos Santos, J Lameira, CN Alves, AH Lima Molecules 24 (13), 2370, 2019 | 11 | 2019 |
| Computed insight into a peptide inhibitor preventing the induced fit mechanism of MurA enzyme from Pseudomonas aeruginosa AH Lima, AM Dos Santos, CN Alves, J Lameira Chemical Biology & Drug Design 89 (4), 599-607, 2017 | 11 | 2017 |
| Protein–ligand interaction of T. cruzi trans-sialidase inhibitors: a docking and QM/MM MD study AH Lima, J Lameira, CN Alves Structural Chemistry 23, 147-152, 2012 | 11 | 2012 |
Jeronimo LameiraUniversidade Federal do ParáVerified email at ufpa.br
