TY - RPRT TI - Protein Molecular Dynamics Simulations with Approximate QM: What Can We Learn? AU - Irle, Stephan AU - Vuong, Van Quan AU - Elayyan, Mouhmad H. AU - Talipov, Marat AU - Abel, Steven M. PY - 2020 UR - https://www.osti.gov/biblio/1606890 ID - 1606890 ER -