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Code and Datasets

Code – Voelz Lab code repository (private) – Bayesian inference of conformational populations (BICePs), an method to infer populations from a combination of computational models and sparse experimental observables. – simple (and slow) python library for experimenting with the two-dimensional HP lattice model of proteins. – python code for calculating rate spectra (inverse Laplace transforms with Bayesian regularization) from noisy time course data


Folding@home COVID-19 protein simulation data as an AWS Open Data Set:

Trajectory data

Marshall, T., Raddi, R., & Voelz, V. (2024). MD simulation trajectory data for “An Evaluation of Force Field Accuracy for the Mini-Protein Chignolin using Markov State Models” (1.0.0) [Data set]. Zenodo.

FOXO1 transcription factor simulation data (Novack et al. 2022) at OSF:

p53 TAD peptide binding to MDM2 receptor (Zhou et al. 2017) at OSF: