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Biological and Medicinal Chemistry

(2)

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(3)

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Working Paper

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Last 3 years

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Elaine da Cunha

4 results in Authors: Elaine da Cunha

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

124

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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

171

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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

96

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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

148

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