共 50 条
- [31] Classical polarization in hybrid QM/MM methods JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (20): : 6487 - 6497
- [32] Recent developments and applications of QM/MM methods JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 1998, 16 (4-6): : 272 - 272
- [33] Investigating biological spectroscopy with QM/MM methods ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 237
- [34] Recent developments and applications of QM/MM methods with SCC-DFTB and ab initio QM methods ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 244
- [35] Recent efforts in calculating free energy based properties using QM and QM/MM methods, and progress towards better MM methods to support more accurate QM/MM free energies ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 258
- [36] Investigation of enzyme reactivity using MM, QM/MM and linear scaling approaches: Human fibroblast collagenase. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1999, 218 : U528 - U528
- [37] COMP 337-Insights into enzymatic halogenation from QM/MM studies ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2008, 236
- [38] COMP 384-Replica exchange QM/MM simulations of peptides in solution ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2008, 236
- [39] Comparative Computational Approach To Study Enzyme Reactions Using QM and QM-MM Methods ACS OMEGA, 2018, 3 (11): : 14689 - 14703
- [40] COMP 245-Exploring QM/MM paths for mapping reaction mechanisms ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 234