Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15
- Lee-Ping Wang
- Keri A. McKiernan
- et al.
- 2017
- Journal of Physical Chemistry B
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TeraChem: A graphical processing unit-accelerated electronic structure package for large-scale ab initio molecular dynamics
- Stefan Seritan
- Christoph Bannwarth
- et al.
- 2020
- WIREs Computational Molecular Science