Data underlying the article: 3DDPDs: Describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors

Authors: Gorostiola González, Marina; van den Broek, Remco L.; Braun, Thomas G.M.; Chatzopoulou, Magdalini; Jespers, Willem; IJzerman, Adriaan P.; Heitman, Laura H.; +1 Authors

doi: 10.5281/zenodo.7957235 , 10.5281/zenodo.7957234 , 10.5281/zenodo.8129614

Data underlying the article: 3DDPDs: Describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors

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Abstract

This repository contains the datasets and results supporting the conclusions of the manuscript "3DDPDs: Describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors". Publicly available data is not included in this repository. The source code to generate the results gathered here can be found on GitHub (https://github.com/CDDLeiden/3ddpd).

Related Organizations

Leiden University
Netherlands

Keywords

3DDPD, Protein descriptors, Molecular Dynamics, Proteochemometrics, GPCRs

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