Piceatannol–Hemoglobin Interaction: Molecular Dynamics and Umbrella Sampling

Name: Piceatannol–Hemoglobin Interaction: Molecular Dynamics and Umbrella Sampling
Creator: Tauane dos Santos Rocha
Published: 2026-09-29T12:21:31.081Z
Keywords: Computational Chemistry

dos Santos Rocha , Tauane; Portela Calheiros Lopes , Rosylene; Barros Valentim, Iara; dos Santos Dias, Wallison; Ferreira da Silva, Lucas; Muniz dos Santos Júnior, Walter; Nunes de Oliveira, Italo; Cosme Santos Da Silva, Júlio; Carinhanha Caldas Santos, Josué; Oliveira Fonseca Goulart, Marília; de Almeida Xavier, Jadriane

doi:10.17632/44rw5cscf3.1

Piceatannol–Hemoglobin Interaction: Molecular Dynamics and Umbrella Sampling

Published: 29 September 2026| Version 1 | DOI: 10.17632/44rw5cscf3.1

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Description

This dataset contains the computational data supporting the molecular interaction analysis between piceatannol and human hemoglobin reported in the associated manuscript.

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Universidade Federal de Alagoas
Alagoas, Maceió

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Fundação de Amparo à Pesquisa do Estado de Alagoas
Alagoas, Maceió
Grant ID: 60030.0000002482/2022
Coordenação de Aperfeicoamento de Pessoal de Nível Superior
Ministry of Education
Federal District, Brasília
Grant ID: Finance Code 001

Piceatannol–Hemoglobin Interaction: Molecular Dynamics and Umbrella Sampling

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