共 50 条
- [1] QM/MM Molecular Dynamics Simulation on the Mechanisms for the Hydrolytic Deamination of Nicotinamidase CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2015, 36 (12): : 2491 - 2496
- [2] PHYS 263-QM/MM simulations of organic and enzymatic reactions ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 234
- [5] The Importance of the MM Environment and the Selection of the QM Method in QM/MM Calculations: Applications to Enzymatic Reactions COMBINED QUANTUM MECHANICAL AND MOLECULAR MECHANICAL MODELLING OF BIOMOLECULAR INTERACTIONS, 2015, 100 : 153 - 185
- [8] Adaptive QM/MM method in AMBER: Molecular dynamics simulations of aqueous systems ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 244
- [9] New Ewald method for ab initio QM/MM molecular dynamics simulation ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 252