Teodorico C. Ramalho

Cp 3037
Lavras, MG 37200000, Brazil

Last Updated: 09/26/2026

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Found 136 publications

Agrochemical residues and food safety: In-depth in silico assessment of the degradation mechanism of chlorpyrifos-oxon by niobium dioxide (NbO₂), a naturally occurring and cost-effective mineral.

Agrochemical residues and food safety: In-depth in silico assessment of the degradation mechanism of chlorpyrifos-oxon by niobium dioxide (NbO₂), a naturally occurring and cost-effective mineral.

Journal: Journal of molecular modeling

Published: May 05, 2026

From Dynamics to Diagnosis and Therapy: A Multiscale Computational Framework for MALT1-Targeted Cancer Theranostics.

From Dynamics to Diagnosis and Therapy: A Multiscale Computational Framework for MALT1-Targeted Cancer Theranostics.

Journal: Journal of chemical information and modeling

Published: April 23, 2026

Decoding Allosteric Inhibition in MALT1: The Hidden Role of Conformational Plasticity in Metastable States via Biased MD and Deep Learning.

Decoding Allosteric Inhibition in MALT1: The Hidden Role of Conformational Plasticity in Metastable States via Biased MD and Deep Learning.

Journal: The journal of physical chemistry. B

Published: January 20, 2026

Exploring the potential of vanadium(IV) complex in autophagy activation: structural modifications, NMR calculations, and novel interactions with PI3Kγ.

Exploring the potential of vanadium(IV) complex in autophagy activation: structural modifications, NMR calculations, and novel interactions with PI3Kγ.

Journal: Journal of molecular modeling

Published: August 28, 2025

In silico strategies for discovering and analyzing new molecules based on isocycloseram: Virtual screening, docking, molecular dynamics, MM/PBSA, and GABA receptor interactions.

In silico strategies for discovering and analyzing new molecules based on isocycloseram: Virtual screening, docking, molecular dynamics, MM/PBSA, and GABA receptor interactions.

Journal: Computational biology and chemistry

Published: August 18, 2025

Molecular Dynamics Simulations and Current Trends in Designing New Antivirals Targeting Proteases: A Review from 2018 to 2025.

Molecular Dynamics Simulations and Current Trends in Designing New Antivirals Targeting Proteases: A Review from 2018 to 2025.

Journal: Current drug targets

Published: July 24, 2025

Genome-wide characterization of invertases in Arabica coffee and its progenitors reveals putative genes involved in fruit development.

Genome-wide characterization of invertases in Arabica coffee and its progenitors reveals putative genes involved in fruit development.

Journal: Functional & integrative genomics

Published: February 17, 2025

Molecular Dynamics-Assisted Interaction Between HABT and PI3K Enzyme: Exploring Metastable States for Promising Cancer Diagnosis Applications.

Molecular Dynamics-Assisted Interaction Between HABT and PI3K Enzyme: Exploring Metastable States for Promising Cancer Diagnosis Applications.

Journal: Journal of computational chemistry

Published: September 23, 2024

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

Atomistic Origins of Resurrection of Aged Acetylcholinesterase by Quinone Methide Precursors.

Atomistic Origins of Resurrection of Aged Acetylcholinesterase by Quinone Methide Precursors.

Journal: Molecules (Basel, Switzerland)

Published: April 28, 2024

Molecular Modeling Insights on the Pharmaceuticals and Hypotheses of Alzheimer's Disease.

Molecular Modeling Insights on the Pharmaceuticals and Hypotheses of Alzheimer's Disease.

Journal: Current medicinal chemistry

Published: April 21, 2024

MD Simulations to Calculate NMR Relaxation Parameters of Vanadium(IV) Complexes: A Promising Diagnostic Tool for Cancer and Alzheimer's Disease.

MD Simulations to Calculate NMR Relaxation Parameters of Vanadium(IV) Complexes: A Promising Diagnostic Tool for Cancer and Alzheimer's Disease.

Journal: Pharmaceuticals (Basel, Switzerland)

Published: October 30, 2023

Showing 1-12 of 136

Last Updated: 09/26/2026