Assis LC - Search Results

1

Evaluation of Docking Machine Learning and Molecular Dynamics Methodologies for DNA-Ligand Systems.

de Oliveira TA, Medaglia LR, Maia EHB, Assis LC, de Carvalho PB, da Silva AM, Taranto AG. de Oliveira TA, et al. Among authors: assis lc. Pharmaceuticals (Basel). 2022 Jan 22;15(2):132. doi: 10.3390/ph15020132. Pharmaceuticals (Basel). 2022. PMID: 35215245 Free PMC article.

2

Structure-Based Virtual Screening: From Classical to Artificial Intelligence.

Maia EHB, Assis LC, de Oliveira TA, da Silva AM, Taranto AG. Maia EHB, et al. Among authors: assis lc. Front Chem. 2020 Apr 28;8:343. doi: 10.3389/fchem.2020.00343. eCollection 2020. Front Chem. 2020. PMID: 32411671 Free PMC article. Review.

3

Identification of a Potential Zika Virus Inhibitor Targeting NS5 Methyltransferase Using Virtual Screening and Molecular Dynamics Simulations.

Santos FRS, Lima WG, Maia EHB, Assis LC, Davyt D, Taranto AG, Ferreira JMS. Santos FRS, et al. Among authors: assis lc. J Chem Inf Model. 2020 Feb 24;60(2):562-568. doi: 10.1021/acs.jcim.9b00809. Epub 2020 Feb 7. J Chem Inf Model. 2020. PMID: 31985225

4

Interactions of cantharidin-like inhibitors with human protein phosphatase-5 in a Mg²⁺ system: molecular dynamics and quantum calculations.

Assis LC, de Castro AA, Prandi IG, Mancini DT, de Giacoppo JOS, Savedra RML, de Assis TM, Carregal JB, da Cunha EFF, Ramalho TC. Assis LC, et al. J Mol Model. 2018 Oct 2;24(10):303. doi: 10.1007/s00894-018-3837-y. J Mol Model. 2018. PMID: 30280322

5

QSAR analysis of nicotinamidic compounds and design of potential Bruton's tyrosine kinase (Btk) inhibitors.

Santos-Garcia L, Assis LC, Silva DR, Ramalho TC, da Cunha EF. Santos-Garcia L, et al. Among authors: assis lc. J Biomol Struct Dyn. 2016 Jul;34(7):1421-40. doi: 10.1080/07391102.2015.1070750. Epub 2016 May 11. J Biomol Struct Dyn. 2016. PMID: 26305710

6

Computational evidence for nitro derivatives of quinoline and quinoline N-oxide as low-cost alternative for the treatment of SARS-CoV-2 infection.

Assis LC, de Castro AA, de Jesus JPA, Nepovimova E, Kuca K, Ramalho TC, La Porta FA. Assis LC, et al. Sci Rep. 2021 Mar 18;11(1):6397. doi: 10.1038/s41598-021-85280-9. Sci Rep. 2021. PMID: 33737545 Free PMC article.

7

Theoretical insights into the effect of halogenated substituent on the electronic structure and spectroscopic properties of the favipiravir tautomeric forms and its implications for the treatment of COVID-19.

Assis LC, de Castro AA, de Jesus JPA, da Cunha EFF, Nepovimova E, Krejcar O, Kuca K, Ramalho TC, La Porta FA. Assis LC, et al. RSC Adv. 2021 Nov 1;11(56):35228-35244. doi: 10.1039/d1ra06309j. eCollection 2021 Oct 28. RSC Adv. 2021. PMID: 35493173 Free PMC article.

8

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: assis lc. Sci Rep. 2021 Oct 7;11(1):19998. doi: 10.1038/s41598-021-99451-1. Sci Rep. 2021. PMID: 34620963 Free PMC article.

9

Computational enzymology for degradation of chemical warfare agents: promising technologies for remediation processes.

de Castro AA, Assis LC, Silva DR, Corrêa S, Assis TM, Gajo GC, Soares FV, Ramalho TC. de Castro AA, et al. Among authors: assis lc, assis tm. AIMS Microbiol. 2017 Mar 14;3(1):108-135. doi: 10.3934/microbiol.2017.1.108. eCollection 2017. AIMS Microbiol. 2017. PMID: 31294152 Free PMC article.

10

Trends in the Recent Patent Literature on Cholinesterase Reactivators (2016-2019).

de Castro AA, Assis LC, Soares FV, Kuca K, Polisel DA, da Cunha EFF, Ramalho TC. de Castro AA, et al. Among authors: assis lc. Biomolecules. 2020 Mar 12;10(3):436. doi: 10.3390/biom10030436. Biomolecules. 2020. PMID: 32178264 Free PMC article. Review.

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