| Repurposing approved drugs as inhibitors of SARS-CoV-2 S-protein from molecular modeling and virtual screening OV de Oliveira, GB Rocha, AS Paluch, LT Costa Journal of Biomolecular Structure and Dynamics 39 (11), 3924-3933, 2021 | 131 | 2021 |
| Molecular dynamics simulation of liquid ethylene glycol and its aqueous solution OV De Oliveira, LCG Freitas Journal of Molecular Structure: THEOCHEM 728 (1-3), 179-187, 2005 | 61 | 2005 |
| Computational studies of the Ca12O12, Ti12O12, Fe12O12 and Zn12O12 nanocage clusters OV de Oliveira, JM Pires, AC Neto, JD dos Santos Chemical Physics Letters 634, 25-28, 2015 | 46 | 2015 |
| Quantum chemical studies of endofullerenes (M@ C60) where M= H2O, Li+, Na+, K+, Be2+, Mg2+, and Ca2+ OV de Oliveira, A da Silva Gonçalves Computational Chemistry 2 (04), 51, 2014 | 33 | 2014 |
| Interaction between the CBM of Cel9A from Thermobifida fusca and cellulose fibers OV Oliveira, LCG Freitas, TP Straatsma, RD Lins Journal of Molecular Recognition: An Interdisciplinary Journal 22 (1), 38-45, 2009 | 30 | 2009 |
| In vitro and in silico inhibition of angiotensin-converting enzyme by carbohydrates and cyclitols D Endringer, O Oliveira, F Braga Chemical Papers 68 (1), 37-45, 2014 | 29 | 2014 |
| A molecular understanding of the phase-behavior of thiophene in the ionic liquid [C4mim]+[BF4]− for extraction from petroleum streams OV Oliveira, AS Paluch, LT Costa Fuel 175, 225-231, 2016 | 21 | 2016 |
| Computational studies of acetylcholinesterase complexed with fullerene derivatives: a new insight for Alzheimer disease treatment A da Silva Gonçalves, TCC França, O Vital de Oliveira Journal of Biomolecular Structure and Dynamics 34 (6), 1307-1316, 2016 | 17 | 2016 |
| Molecular modeling of a polymer nanocomposite model in water and chloroform solvents OV de Oliveira, LT Costa, ER Leite Computational and Theoretical Chemistry 1092, 52-56, 2016 | 15 | 2016 |
| Solvation of sodium octanoate micelles in concentrated urea solution studied by means of molecular dynamics simulations AF de Moura, K Bernardino, OV de Oliveira, LCG Freitas The Journal of Physical Chemistry B 115 (49), 14582-14590, 2011 | 14 | 2011 |
| Theoretical study of sarin adsorption on (12, 0) boron nitride nanotube doped with silicon atoms JR dos Santos, EL da Silva, OV de Oliveira, JD dos Santos Chemical Physics Letters 738, 136816, 2020 | 11 | 2020 |
| Encapsulation of the sulfur compounds by Cucurbit [7] uril: a quantum chemistry study OV Oliveira, GC Costa, LT Costa The Journal of Physical Chemistry B 122 (50), 12107-12113, 2018 | 10 | 2018 |
| Molecular dynamic simulations of polyacrylonitrile in ethanol and water solvents JM Pires, OV de Oliveira, LCG Freitas, EA da S Filho, AR Prado Computational and Theoretical Chemistry 995, 75-78, 2012 | 10 | 2012 |
| Molecular dynamics and metadynamics simulations of the cellulase Cel48F O Vital de Oliveira Enzyme Research 2014, 2014 | 9 | 2014 |
| A mechanism for the stabilization of the secondary structure of a peptide by liquid ethylene glycol and its aqueous solutions OV de Oliveira, AF de Moura, LCG Freitas Journal of Molecular Structure: THEOCHEM 808 (1-3), 93-96, 2007 | 9 | 2007 |
| Theoretical investigations of human acetylcholinesterase inhibition efficiency by neurotoxic organophosphorus compounds OV de Oliveira, T Cuya, EC Ferreira, A da Silva Gonçalves Chemical Physics Letters 706, 82-86, 2018 | 8 | 2018 |
| Theoretical investigations of human acetylcholinesterase inhibition efficiency by neurotoxic organophosphorus compounds OV Oliveira, T Cuya, EC Ferreira, A Silva Gonçalves Chemical Physics Letters 706, 82-86, 2018 | 7 | 2018 |
| Theoretical investigations of the herbicide glyphosate adsorption on the B12N12 nanocluster OV de Oliveira, JD dos Santos, JCF Silva, LT Costa, MFF Junior, ... Orbital: The Electronic Journal of Chemistry, 175-180, 2017 | 7 | 2017 |
| Computational studies of acetylcholinesterase complexed with fullerene derivatives: A new insight for Alzheimer disease treatment AS Goncalves, TC Costa Franca, OV de Oliveira Journal of Biomolecular Structure & Dynamics 34 (6), 1307-1316, 2016 | 7 | 2016 |
| Traditional herbal compounds as candidates to inhibit the SARS-CoV-2 main protease: an in silico study OV de Oliveira, M Cristina Andreazza Costa, R Marques da Costa, ... Journal of Biomolecular Structure and Dynamics 41 (5), 1603-1616, 2023 | 5 | 2023 |
Edson Roberto LeiteUniversidade Federal de São Carlos/LNNano-CNPEMVerified email at pq.cnpq.br
