diff --git a/README.md b/README.md index 7aad633..efaaa49 100644 --- a/README.md +++ b/README.md @@ -4,7 +4,7 @@ This repository contains the learned potential, simulation scripts and training code for the paper: -Greener JG and Jones DT, Differentiable molecular simulation can learn all the parameters in a coarse-grained force field for proteins, bioRxiv (2021) - [link](https://www.biorxiv.org/content/10.1101/2021.02.05.429941v1) +Greener JG and Jones DT, Differentiable molecular simulation can learn all the parameters in a coarse-grained force field for proteins, PLoS ONE 16(9): e0256990 (2021) - [link](https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0256990) It provides the `cgdms` Python package which can be used to simulate any protein and reproduce the results in the paper.