Rafael Najmanovich
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Articles (7)
Year:
2024
Summary Computational methods for the quantification and visualization of the relative contribution of molecular interactions to the stability of biomolecular structures and complexes are fundamental to understand, modulate and engineer biological processes. Here, we present Surfaces, an easy to use, fast and customizable software for quantification and visualization of molecular interactions based on the calculation of surface areas in contact. Surfaces calculations shows equivalent or better correlations with experimental data as computationally expensive methods based on molecular dynamics. Availability and implementation All scripts are available at https://github.com/NRGLab/Surfaces. Surface’s documentation is available at https://surfaces-tutorial.readthedocs.io/en/latest/index.html.
Year:
2023
Year:
2023
Year:
2022
Year:
2022
Year:
2021
Year:
2021
Collaborators (2)
MARIA ISABEL GIRALDO GIRALDO
Assistant professor
University of Texas Medical Branch at Galveston
Francois Major
Full Professor
Université de Montréal
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