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On the role of native contact cooperativity in protein folding

Research datakeyboard_double_arrow_right Dataset 02 May 2024Publisher:Zenodo

Authors: Wang, David; Frechette, Layne; Best, Robert;

doi: 10.5281/zenodo.11105958 , 10.5281/zenodo.11123388 , 10.5281/zenodo.11105957

On the role of native contact cooperativity in protein folding

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Abstract

This repository provides supporting information related to the paper "On the role of contact cooperativity in protein folding" by Wang, Frechette and Best ( https://doi.org/10.1073/pnas.2319249121 ) and contains: C++ code using Boltzmann machines to learn the parameters of an Ising model that best describes contact formation observed in an MD simulation. The fitted parameters and python scripts used for plotting several of the figures in the paper.

Related Organizations

Johns Hopkins University
United States
Brandeis University
United States

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