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- [3] Distinguishing between electrostatic stabilization and general acid-base mechanisms in aldehyde dehydrogenase with MM and OM/MM simulations. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 227 : U902 - U902
- [4] Chemistry in water with adaptive QM/MM simulations ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 239
- [5] Rational design of biomimetics with QM/MM car-parrinello simulations. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2000, 219 : U328 - U328
- [6] Quantum mechanical dynamics of enzyme catalyzed reactions from combined QM/MM simulations. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2000, 220 : U164 - U164
- [7] Mechanistic insights into photodecarboxylation of fatty acids from classical and QM/MM simulations ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 258
- [8] Applications of QM, QM+MM, and QM/MM direct dynamics simulations ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 227 : U273 - U273
- [9] Mechanism of aldehyde inhibitor binding to pi-class glutathione S-transferase from MM and OM/MM simulations. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 227 : U1012 - U1012
- [10] QM/MM simulations of carbohydrates NMR SPECTROSCOPY AND COMPUTER MODELING OF CARBOHYDRATES: RECENT ADVANCES, 2006, 930 : 186 - 202