共 50 条
- [1] ab initio QM/MM calculations on the citrate synthase reaction [J]. JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 1998, 16 (4-6): : 271 - 272
- [2] Ab initio QM/MM minimum free energy path for simulating chemical reaction and redox processes in solution and in enzymes [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 240
- [3] Free energy calculations of chemical reactions in complex systems with ab initio QM/MM method [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 232 : 36 - 36
- [4] Development and application of ab initio QM/MM methods for mechanistic simulation of reactions in solution and in enzymes [J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2009, 898 (1-3): : 17 - 30
- [5] Ab Initio QM/MM and free energy calculations of enzyme reactions. [J]. COMPUTATIONAL METHODS FOR MACROMOLECULES: CHALLENGES AND APPLICATIONS, 2002, 24 : 333 - +
- [6] Correlated ab initio QM/MM studies on enzymes [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 230 : U2869 - U2869
- [8] Ab-initio QM/MM calculations of free energies [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 225 : U771 - U771
- [9] DFT QM/MM method for simulation of chemical reactions in enzymes. [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2001, 222 : U391 - U392
- [10] Ab Initio QM/MM Simulation of Ferrocene Homogeneous Electron-Transfer Reaction [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2021, 125 (01): : 25 - 33