diff --git a/README.md b/README.md index d47562c..e6d2d27 100644 --- a/README.md +++ b/README.md @@ -2,7 +2,7 @@ This repository contains data and simulation input from the paper: "Application of the ESMACS binding free energy protocol to a highly varied ligand dataset: lactate dehydogenase A", David W. Wright, Fouad Husseini, Shunzhou Wan, Christophe Meyer, Herman van Vlijmen, Gary Tresadern, and Peter V. Coveney -Preprint DOI: [](https://) +Preprint DOI: [10.26434/chemrxiv.8398055](https://doi.org/10.26434/chemrxiv.8398055) What follows is a brief description of the contents.