共 50 条
- [22] COMP 29-Born-Oppenheimer molecular dynamics simulations of enzyme catalysis with ab initio QM/MM methods ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2008, 235
- [23] Ultraviolet Spectroscopy of Protein Backbone Transitions in Aqueous Solution: Combined QM and MM Simulations JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 114 (24): : 8270 - 8277
- [25] Study of the aggregation mechanism of polyglutamine peptides using replica exchange molecular dynamics simulations Journal of Molecular Modeling, 2013, 19 : 1627 - 1639
- [26] COMP 34-Simple continuous and discrete models for simulating replica exchange simulations of protein folding and binding ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2008, 235
- [27] COMP 32-Comparison between regular and replica exchange molecular dynamics simulations and their applications in protein folding ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2008, 235
- [28] Replica-exchange multicanonical and multicanonical replica-exchange Monte Carlo simulations of peptides. I. Formulation and benchmark test JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (14): : 6664 - 6675
- [29] Adaptive Partitioning QM/MM Dynamics Simulations for Substrate Uptake, Product Release, and Solvent Exchange COMPUTATIONAL APPROACHES FOR STUDYING ENZYME MECHANISM, PT A, 2016, 577 : 341 - 357
- [30] Hydration structure and water exchange reaction of Nickel(II) ion: Classical and QM/MM Simulations JOURNAL OF PHYSICAL CHEMISTRY A, 2002, 106 (29): : 6783 - 6791