Publications

We list here a list of publication that utilised the software for carrying our RBFE calculations.

Mateusz K Bieniek, Alexander D Wade, Agastya P Bhati, Shunzhou Wan, and Peter V Coveney. TIES 2.0: A Dual-Topology Open Source Relative Binding Free Energy Builder with Web Portal. Journal of Chemical Information and Modeling, 63(3):718–724, 2023. URL: https://doi.org/10.1021/acs.jcim.2c01596, doi:10.1021/acs.jcim.2c01596.0

Mateusz K Bieniek, Alexander D Wade, Agastya P Bhati, Shunzhou Wan, and Peter V Coveney. TIES 2.0: A Dual-Topology Open Source Relative Binding Free Energy Builder with Web Portal. Journal of Chemical Information and Modeling, 63(3):718–724, 2023. URL: https://doi.org/10.1021/acs.jcim.2c01596, doi:10.1021/acs.jcim.2c01596.