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A computational study of the interface interaction between SARS-CoV-2 RBD and ACE2 from human, cat, dog, and ferret.
Transbound Emerg Dis. 2022 Jul;69(4):2287-2295. doi: 10.1111/tbed.14234. Epub 2021 Jul 22.
Transbound Emerg Dis. 2022.
PMID: 34251748
Free PMC article.
Docking, QM/MM, and molecular dynamics simulations of the hexose transporter from Plasmodium falciparum (PfHT).
Fonseca AL, Nunes RR, Braga VM, Comar M Jr, Alves RJ, Varotti Fde P, Taranto AG.
Fonseca AL, et al. Among authors: comar m jr.
J Mol Graph Model. 2016 May;66:174-86. doi: 10.1016/j.jmgm.2016.03.015. Epub 2016 Apr 1.
J Mol Graph Model. 2016.
PMID: 27131282
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Accurate Gaussian basis sets for atomic and molecular calculations obtained from the generator coordinate method with polynomial discretization.
Celeste R, Maringolo MP, Comar M Jr, Viana RB, Guimarães AR, Haiduke RL, da Silva AB.
Celeste R, et al. Among authors: comar m jr.
J Mol Model. 2015 Oct;21(10):274. doi: 10.1007/s00894-015-2813-z. Epub 2015 Sep 29.
J Mol Model. 2015.
PMID: 26419974
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Primary Structure of a Trypsin Inhibitor (Copaifera langsdorffii Trypsin Inhibitor-1) Obtained from C. langsdorffii Seeds.
Silva JA, Pompeu DG, Smolka MB, Gozzo FC, Comar M Jr, Eberlin MN, Granjeiro PA, Marangoni S.
Silva JA, et al. Among authors: comar m jr.
J Biomol Tech. 2015 Sep;26(3):90-102. doi: 10.7171/jbt.15-2603-002.
J Biomol Tech. 2015.
PMID: 26207098
Free PMC article.
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Identification of a vaccine against schistosomiasis using bioinformatics and molecular modeling tools.
de Oliveira Lopes D, de Oliveira FM, do Vale Coelho IE, de Oliveira Santana KT, Mendonça FC, Taranto AG, dos Santos LL, Miyoshi A, de Carvalho Azevedo VA, Comar M Jr.
de Oliveira Lopes D, et al. Among authors: comar m jr.
Infect Genet Evol. 2013 Dec;20:83-95. doi: 10.1016/j.meegid.2013.08.007. Epub 2013 Aug 20.
Infect Genet Evol. 2013.
PMID: 23973434
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First- and second-row transition metal oxa-aza macrocyclic complexes: a DFT study of an octahedral conformation.
Lima FC, Viana RB, da Silva TT, Wardell SM, do Filho AP, Carneiro JW, Comar M Jr, da Silva AB.
Lima FC, et al. Among authors: comar m jr.
J Mol Model. 2012 Jul;18(7):3243-53. doi: 10.1007/s00894-011-1323-x. Epub 2012 Jan 15.
J Mol Model. 2012.
PMID: 22249748
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Molecular modeling and inhibition of phospholipase A2 by polyhydroxy phenolic compounds.
da Silva SL, Calgarotto AK, Maso V, Damico DC, Baldasso P, Veber CL, Villar JA, Oliveira AR, Comar M Jr, Oliveira KM, Marangoni S.
da Silva SL, et al. Among authors: comar m jr.
Eur J Med Chem. 2009 Jan;44(1):312-21. doi: 10.1016/j.ejmech.2008.02.043. Epub 2008 Mar 12.
Eur J Med Chem. 2009.
PMID: 18423943
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