Code
https://github.com/vvoelz/voelzlab – Voelz Lab code repository (private)
https://github.com/vvoelz/biceps – Bayesian inference of conformational populations (BICePs), an method to infer populations from a combination of computational models and sparse experimental observables.
https://github.com/vvoelz/hpsandbox – simple (and slow) python library for experimenting with the two-dimensional HP lattice model of proteins.
https://github.com/vvoelz/ratespec – python code for calculating rate spectra (inverse Laplace transforms with Bayesian regularization) from noisy time course data
Datasets
Folding@home COVID-19 protein simulation data as an AWS Open Data Set: https://registry.opendata.aws/foldingathome-covid19
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. https://doi.org/10.5281/zenodo.10681926
FOXO1 transcription factor simulation data (Novack et al. 2022) at OSF: https://doi.org/10.17605/OSF.IO/T7H5B
p53 TAD peptide binding to MDM2 receptor (Zhou et al. 2017) at OSF: https://doi.org/10.17605/OSF.IO/8SC9G