Leticia C. Assis

Sao Joao Del Rei, MG 36301160, Brazil

Last Updated: 09/26/2026

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Found 12 publications

Nanoparticles and bioactive materials against COVID-19 and its variants: Hints from a computational-materials design perspective.

Nanoparticles and bioactive materials against COVID-19 and its variants: Hints from a computational-materials design perspective.

Journal: Computers in biology and medicine

Published: July 08, 2024

Prospects of ZnS and ZnO as smart semiconductor materials in light-activated antimicrobial coatings for mitigation of severe acute respiratory syndrome coronavirus-2 infection.

Prospects of ZnS and ZnO as smart semiconductor materials in light-activated antimicrobial coatings for mitigation of severe acute respiratory syndrome coronavirus-2 infection.

Journal: Materials today. Communications

Published: August 01, 2022

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

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

Journal: Pharmaceuticals (Basel, Switzerland)

Published: November 29, 2021

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.

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.

Journal: RSC advances

Published: August 20, 2021

Effect of drug metabolism in the treatment of SARS-CoV-2 from an entirely computational perspective.

Effect of drug metabolism in the treatment of SARS-CoV-2 from an entirely computational perspective.

Journal: Scientific reports

Published: April 08, 2021

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

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

Journal: Scientific reports

Published: May 26, 2020

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

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

Journal: Journal of chemical information and modeling

Published: January 28, 2020

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

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

Journal: Biomolecules

Published: December 15, 2019

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

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

Journal: Frontiers in chemistry

Published: June 27, 2019

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

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

Journal: Journal of molecular modeling

Published: February 08, 2018

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

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

Journal: AIMS microbiology

Published: December 15, 2016

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

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

Journal: Journal of biomolecular structure & dynamics

Published: August 26, 2015

Showing 1-12 of 12

Last Updated: 09/26/2026