共 50 条
- [1] How Cellulose Elongates-A QM/MM Study of the Molecular Mechanism of Cellulose Polymerization in Bacterial CESA JOURNAL OF PHYSICAL CHEMISTRY B, 2015, 119 (22): : 6525 - 6535
- [3] How cellulose elongates: A QM/MM study of the molecular mechanism of bacteria CESA ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 248
- [4] A QM/MM study on the catalytic mechanism of pyruvate decarboxylase Theoretical Chemistry Accounts, 2012, 131
- [7] A QM/MM study of the catalytic mechanism of aspartate ammonia lyase JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2014, 51 : 113 - 119
- [8] Catalytic mechanism and metal specificity of bacterial peptide deformylase: A density functional theory QM/MM study JOURNAL OF PHYSICAL CHEMISTRY B, 2007, 111 (22): : 6229 - 6235
- [10] Unraveling Binding Mechanism and Stability of Urease Inhibitors: A QM/MM MD Study MOLECULES, 2023, 28 (06):