TY - GEN AU - Plotnikov,Nikolay V AU - Kamerlin,Shina C L AU - Warshel,Arieh TI - Paradynamics: an effective and reliable model for ab initio QM/MM free-energy calculations and related tasks SN - 1520-5207 PY - 2011///1018 KW - Models, Molecular KW - Quantum Theory KW - Thermodynamics N1 - Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't UR - https://doi.org/10.1021/jp201217b ER -