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Interactions of Co, Cu, and non-metal phthalocyanines with external structures of SARS-CoV-2 using docking and molecular dynamics.
Sci Rep. 2022 Feb 28;12(1):3316. doi: 10.1038/s41598-022-07396-w.
Sci Rep. 2022.
PMID: 35228662
Free PMC article.
Publisher Correction: Interactions of Co, Cu, and non-metal phthalocyanines with external structures of SARS-CoV-2 using docking and molecular dynamics.
Alencar WLM, da Silva Arouche T, Neto AFG, de Castro Ramalho T, de Carvalho Júnior RN, de Jesus Chaves Neto AM.
Alencar WLM, et al. Among authors: de castro ramalho t.
Sci Rep. 2022 Mar 14;12(1):4326. doi: 10.1038/s41598-022-08312-y.
Sci Rep. 2022.
PMID: 35288605
Free PMC article.
No abstract available.
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Effect of drug metabolism in the treatment of SARS-CoV-2 from an entirely computational perspective.
de Jesus JPA, Assis LC, de Castro AA, da Cunha EFF, Nepovimova E, Kuca K, de Castro Ramalho T, de Almeida La Porta F.
de Jesus JPA, et al. Among authors: de castro ramalho t.
Sci Rep. 2021 Oct 7;11(1):19998. doi: 10.1038/s41598-021-99451-1.
Sci Rep. 2021.
PMID: 34620963
Free PMC article.
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3D-QSAR CoMFA/CoMSIA models based on theoretical active conformers of HOE/BAY-793 analogs derived from HIV-1 protease inhibitor complexes.
da Cunha EF, Sippl W, de Castro Ramalho T, Ceva Antunes OA, de Alencastro RB, Albuquerque MG.
da Cunha EF, et al. Among authors: de castro ramalho t.
Eur J Med Chem. 2009 Nov;44(11):4344-52. doi: 10.1016/j.ejmech.2009.05.016. Epub 2009 May 23.
Eur J Med Chem. 2009.
PMID: 19616874
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Interactions of 5-deazapteridine derivatives with Mycobacterium tuberculosis and with human dihydrofolate reductases.
da Cunha EF, de Castro Ramalho T, Bicca de Alencastro R, Maia ER.
da Cunha EF, et al. Among authors: de castro ramalho t.
J Biomol Struct Dyn. 2004 Oct;22(2):119-30. doi: 10.1080/07391102.2004.10506988.
J Biomol Struct Dyn. 2004.
PMID: 15317473
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Chitosan-iron oxide hybrid composite: mechanism of hexavalent chromium removal by central composite design and theoretical calculations.
Chagas PMB, Caetano AA, Rossi MA, Gonçalves MA, de Castro Ramalho T, Corrêa AD, do Rosário Guimarães I.
Chagas PMB, et al. Among authors: de castro ramalho t.
Environ Sci Pollut Res Int. 2019 Jun;26(16):15973-15988. doi: 10.1007/s11356-019-04545-z. Epub 2019 Apr 8.
Environ Sci Pollut Res Int. 2019.
PMID: 30963426
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Iron and molybdenum mixed oxide supported on Al-PILC for the catalytic oxidative desulfurization of dibenzothiophene in simulated diesel fuel.
Tireli AA, do Rosário Guimarães I, Mello Mattos de Castro G, Gonçalves MA, de Castro Ramalho T, Guerreiro MC.
Tireli AA, et al. Among authors: de castro ramalho t.
Environ Sci Pollut Res Int. 2020 May;27(13):14963-14976. doi: 10.1007/s11356-020-07961-8. Epub 2020 Feb 15.
Environ Sci Pollut Res Int. 2020.
PMID: 32062775
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