Hu, Xiaojuan NOMAD, Fritz Haber Institute, Max Planck Society;
Baldauf, Carsten Molecular Physics, Fritz Haber Institute, Max Planck Society;
5.0020768.pdf (Publisher version), 7MB
Amin, K. S., Hu, X., Salahub, D. R., Baldauf, C., Lim, C., & Noskov, S. (2020). Benchmarking polarizable and non-polarizable force fields for Ca2+-peptides against a comprehensive QM dataset. The Journal of Chemical Physics, 153(14): 144102. doi:10.1063/5.0020768.