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Biological and Medicinal Chemistry

(2)

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(4)

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Working Paper

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Last 3 years

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Elaine Cunha

5 results in Authors: Elaine Cunha

Physical Chemistry

An improved protocol for the selection of structures from molecular dynamics of organic systems in solution: the value of investigating different wavelet families

Mateus Gonçalves, Arlan Gonçalves, Tanos Franca, Mozarte Santana, Elaine da Cunha, Teodorico de Ramalho

Version 1 posted 12 September 2022

142

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Theoretical and Computational Chemistry

Exploring 129Xe NMR parameters for structural investigation of biomolecules: relativistic, solvent, and thermal Effects

Mateus A. Gonçalves, Gustavo A. Andolpho, Elaine F. F. da Cunha, Teodorico C. Ramalho

Version 1 posted 27 October 2022

117

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Theoretical and Computational Chemistry

Molecular Dynamics-Assisted Interaction of Vanadium Complex-AMPK: from the force field development to biological application for Alzheimer's treatment

Camila Assis Tavares, Taináh Martins Resende Santos, Elaine Fontes Ferreira da Cunha, Teodorico de Castro Ramalho

Version 1 posted 22 December 2022

156

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Theoretical and Computational Chemistry

Exploring EPR Parameters of 187Re Complexes for Designing new MRI Probes: from the gas phase to solution and a model protein environment

Gustavo A. Andolpho, Elaine F. F. da Cunha, Teodorico C. Ramalho

Version 1 posted 12 September 2022

90

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Theoretical and Computational Chemistry

Evaluation of autophagy inhibition to combat cancer: (vanadium complex)–protein interactions, parameterization, and validation of a new force field

Taináh Santos, Camila Tavares, Ander Pereira, Elaine Cunha, Teodorico Ramalho

Version 1 posted 27 March 2023

92

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