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- [21] QM/MM simulations of amino acid pKa ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 245
- [22] Chemistry in water with adaptive QM/MM simulations ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 239
- [23] Computer simulations of a heterogeneous membrane with enhanced sampling techniques JOURNAL OF CHEMICAL PHYSICS, 2020, 153 (14):
- [24] COMP 335-Toward routine long timescale QM/MM/MD simulations: Improvements in AMBER's QM/MM support ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2008, 236
- [26] PHYS 267-How important is sampling in spectroscopic characterizations of metalloenzymes using QM/MM simulations? ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 234
- [27] Enhancing Paradynamics for QM/MM Sampling of Enzymatic Reactions JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 120 (09): : 2155 - 2164
- [28] Exploring, Refining, and Validating the Paradynamics QM/MM Sampling JOURNAL OF PHYSICAL CHEMISTRY B, 2012, 116 (34): : 10342 - 10356
- [29] Recent advances in QM/MM simulations of enzymatic reactions ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 252