共 50 条
- [1] QM/MM simulations of electron/exciton transfer reactions [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253
- [2] QM/MM calculations of proton transfer reactions and excited states properties in biological systems using semi-empirical methods [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 232 : 124 - 124
- [4] Adaptive-partitioning QM/MM dynamics simulations of proton transfer [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 249
- [5] Proton transfer function of carbonic anhydrase: Insights from QM/MM simulations [J]. BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS, 2010, 1804 (02): : 342 - 351
- [7] Simulation of proton transfer processes and excited-state properties in proteins with QM/MM methods [J]. COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING VOL 1: THEORY AND COMPUTATION: OLD PROBLEMS AND NEW CHALLENGES, 2007, 963 : 513 - +
- [8] QM/MM/PCM simulations of excited-state dynamics [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2011, 242
- [9] Recent advances in QM/MM simulations of enzymatic reactions [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 252
- [10] Accuracy in QM/MM simulations of organic and enzymatic reactions [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 233