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Chemical profile of Lippia thymoides, evaluation of the acetylcholinesterase inhibitory activity of its essential oil, and molecular docking and molecular dynamics simulations.
Silva SG, da Costa RA, de Oliveira MS, da Cruz JN, Figueiredo PLB, Brasil DDSB, Nascimento LD, Chaves Neto AMJ, de Carvalho Junior RN, Andrade EHA. Silva SG, et al. Among authors: de carvalho junior rn. PLoS One. 2019 Mar 8;14(3):e0213393. doi: 10.1371/journal.pone.0213393. eCollection 2019. PLoS One. 2019. PMID: 30849129 Free PMC article.
Chemical Composition, Antimicrobial Properties of Siparuna guianensis Essential Oil and a Molecular Docking and Dynamics Molecular Study of its Major Chemical Constituent.
Santana de Oliveira M, da Cruz JN, Almeida da Costa W, Silva SG, Brito MDP, de Menezes SAF, de Jesus Chaves Neto AM, de Aguiar Andrade EH, de Carvalho Junior RN. Santana de Oliveira M, et al. Among authors: de carvalho junior rn. Molecules. 2020 Aug 25;25(17):3852. doi: 10.3390/molecules25173852. Molecules. 2020. PMID: 32854178 Free PMC article.
Interactions of Ozone-Functionalized Activated Charcoal with SARS-Cov-2 Proteases Using Molecular Docking and Dynamics.
Costa Araújo HD, Silva Arouche TD, de Carvalho Junior RN, Castro Ramalho T, Santos Borges RD, de Oliveira MS, Chagas Marques FD, de Jesus Chaves Neto AM. Costa Araújo HD, et al. Among authors: de carvalho junior rn. J Nanosci Nanotechnol. 2021 Dec 1;21(12):6060-6072. doi: 10.1166/jnn.2021.19525. J Nanosci Nanotechnol. 2021. PMID: 34229805
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 carvalho junior rn. 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.
Hormones Nanofiltration in Carbon Nanotubes and Boron Nitride Nanotubes Using Uniform External Electric Field Through Molecular Dynamics.
Dos Santos Cavaleiro RM, da Silva Arouche T, Martins Tanoue PS, Sá Pereira TS, de Carvalho Junior RN, Paranhos Costa FL, de Andrade Filho TS, Dos Santos Borges R, de Jesus Chaves Neto AM. Dos Santos Cavaleiro RM, et al. Among authors: de carvalho junior rn. J Nanosci Nanotechnol. 2021 Nov 1;21(11):5499-5509. doi: 10.1166/jnn.2021.19467. J Nanosci Nanotechnol. 2021. PMID: 33980360