| Quantum molecular modelling of ibuprofen bound to human serum albumin DS Dantas, JIN Oliveira, JXL Neto, RF da Costa, EM Bezerra, VN Freire, ... RSC Advances 5 (61), 49439-49450, 2015 | 52 | 2015 |
| Inhibition of the checkpoint protein PD-1 by the therapeutic antibody pembrolizumab outlined by quantum chemistry ABMLA Tavares, JX Lima Neto, UL Fulco, EL Albuquerque Scientific reports 8 (1), 1840, 2018 | 36 | 2018 |
| A quantum chemistry investigation of a potential inhibitory drug against the dengue virus GS Ourique, JF Vianna, JXL Neto, JIN Oliveira, PW Mauriz, ... RSC advances 6 (61), 56562-56570, 2016 | 31 | 2016 |
| A quantum biochemistry model of the interaction between the estrogen receptor and the two antagonists used in breast cancer treatment KB Mota, JXL Neto, AHL Costa, JIN Oliveira, KS Bezerra, EL Albuquerque, ... Computational and Theoretical Chemistry 1089, 21-27, 2016 | 30 | 2016 |
| Quantum binding energy features of the T3-785 collagen-like triple-helical peptide KS Bezerra, JIN Oliveira, JXL Neto, EL Albuquerque, EWS Caetano, ... RSC advances 7 (5), 2817-2828, 2017 | 29 | 2017 |
| A quantum biochemistry investigation of willardiine partial agonism in AMPA receptors JXL Neto, UL Fulco, EL Albuquerque, G Corso, EM Bezerra, ... Physical Chemistry Chemical Physics 17 (19), 13092-13103, 2015 | 29 | 2015 |
| Ribosomal RNA–aminoglycoside hygromycin b interaction energy calculation within a density functional theory framework KS Bezerra, UL Fulco, SC Esmaile, JX Lima Neto, LD Machado, VN Freire, ... The Journal of Physical Chemistry B 123 (30), 6421-6429, 2019 | 26 | 2019 |
| Individual nest site selection in hawksbill turtles within and between nesting seasons AJB Santos, JXL Neto, DHG Vieira, LD Neto, C Bellini, ... Chelonian Conservation and Biology 15 (1), 109-114, 2016 | 26 | 2016 |
| DFT calculations of the structural, electronic, optical and vibrational properties of anhydrous orthorhombic L-threonine crystals RL Araújo, MS Vasconcelos, CA Barboza, JXL Neto, EL Albuquerque, ... Computational and Theoretical Chemistry 1170, 112621, 2019 | 23 | 2019 |
| Computational investigation of the α 2 β 1 integrin–collagen triple helix complex interaction KS Bezerra, JXL Neto, JIN Oliveira, EL Albuquerque, EWS Caetano, ... New Journal of Chemistry 42 (20), 17115-17125, 2018 | 23 | 2018 |
| Energetic description of cilengitide bound to integrin JXL Neto, KS Bezerra, DN Manso, KB Mota, JIN Oliveira, EL Albuquerque, ... New Journal of Chemistry 41 (19), 11405-11412, 2017 | 23 | 2017 |
| Exploring the Binding Mechanism of GABAB Receptor Agonists and Antagonists through in Silico Simulations JX Lima Neto, KS Bezerra, ED Barbosa, JIN Oliveira, V Manzoni, ... Journal of chemical information and modeling 60 (2), 1005-1018, 2019 | 22 | 2019 |
| Outlining migrainous through dihydroergotamine–serotonin receptor interactions using quantum biochemistry JXL Neto, VP Soares-Rachetti, EL Albuquerque, V Manzoni, UL Fulco New Journal of Chemistry 42 (4), 2401-2412, 2018 | 20 | 2018 |
| A quantum biochemistry approach to investigate checkpoint inhibitor drugs for cancer ABMLA Tavares, JXL Neto, UL Fulco, EL Albuquerque New Journal of Chemistry 43 (19), 7185-7189, 2019 | 17 | 2019 |
| Insights into solid-state properties of dopamine and L-Dopa hydrochloride crystals through DFT calculations RL Araújo, JXL Neto, JM Henriques, RM Tromer, CA Barboza, ... Chemical Physics Letters 761, 138033, 2020 | 15 | 2020 |
| Computational biochemical investigation of the binding energy interactions between an estrogen receptor and its agonists AHL Costa, WS Clemente, KS Bezerra, JXL Neto, EL Albuquerque, ... New Journal of Chemistry 42 (24), 19801-19810, 2018 | 14 | 2018 |
| Interaction energies between two antiandrogenic and one androgenic agonist receptor in the presence of a T877A mutation in prostate cancer: a quantum chemistry analysis KS Bezerra, JF Vianna, JXL Neto, JIN Oliveira, EL Albuquerque, UL Fulco New Journal of Chemistry 44 (15), 5903-5912, 2020 | 13 | 2020 |
| In silico evaluation of the binding energies of androgen receptor agonists in wild-type and mutational models ACC Albuquerque, KS Bezerra, J de Fátima Vianna, SO Batista, ... The Journal of Physical Chemistry B 127 (22), 5005-5017, 2023 | 9 | 2023 |
| Electronic transport in methylated fragments of DNA ML De Almeida, JIN Oliveira, JX Lima Neto, CEM Gomes, UL Fulco, ... Applied Physics Letters 107 (20), 2015 | 9 | 2015 |
| Exploring the spike-hACE 2 residue–residue interaction in human coronaviruses SARS-CoV-2, SARS-CoV, and HCoV-NL63 JX Lima Neto, DS Vieira, J de Andrade, UL Fulco Journal of Chemical Information and Modeling 62 (11), 2857-2868, 2022 | 7 | 2022 |
Umberto Laino FulcoProfessor de Biofísica, Universidade Federal do Rio Grande do NorteDirección de correo verificada de ufrn.br