Matthew Zwier
Affiliations: | 2013- | Chemistry | Drake University, Des Moines, IA, United States |
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Publications
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| Bogetti AT, Zwier MC, Chong LT. (2024) Revisiting Textbook Azide-Clock Reactions: A "Propeller-Crawling" Mechanism Explains Differences in Rates. Journal of the American Chemical Society. 146: 12828-12835 |
| Bogetti AT, Leung JMG, Russo JD, et al. (2023) A Suite of Tutorials for the WESTPA 2.0 Rare-Events Sampling Software [Article v2.0]. Living Journal of Computational Molecular Science. 5 |
| Russo JD, Zhang S, Leung JMG, et al. (2022) WESTPA 2.0: High-Performance Upgrades for Weighted Ensemble Simulations and Analysis of Longer-Timescale Applications. Journal of Chemical Theory and Computation |
| Bogetti AT, Mostofian B, Dickson A, et al. (2019) A Suite of Tutorials for the WESTPA Rare-Events Sampling Software [Article v1.0]. Living Journal of Computational Molecular Science. 1 |
| Saglam AS, Wang D, Zwier MC, et al. (2017) Flexibility vs. Preorganization: Direct Comparison of Binding Kinetics for a Disordered Peptide and Its Exact Preorganized Analogues. The Journal of Physical Chemistry. B |
| Zwier MC, Pratt A, Adelman JL, et al. (2016) Efficient Atomistic Simulation of Pathways and Calculation of Rate Constants for a Protein-Peptide Binding Process: Application to the MDM2 Protein and an Intrinsically Disordered p53 Peptide. The Journal of Physical Chemistry Letters |
| Zwier MC, Adelman JL, Kaus JW, et al. (2015) WESTPA: An interoperable, highly scalable software package for weighted ensemble simulation and analysis. Journal of Chemical Theory and Computation. 11: 800-809 |
| Zwier MC, Adelman JL, Kaus JW, et al. (2015) WESTPA: An interoperable, highly scalable software package for weighted ensemble simulation and analysis Journal of Chemical Theory and Computation. 11: 800-809 |
| Suárez E, Lettieri S, Zwier MC, et al. (2014) Simultaneous Computation of Dynamical and Equilibrium Information Using a Weighted Ensemble of Trajectories. Journal of Chemical Theory and Computation. 10: 2658-2667 |
| Adelman JL, Dale AL, Zwier MC, et al. (2012) Insight into the Alternating Access Mechanism of the Sodium Symporter Mhp1 using Path Sampling Simulations Biophysical Journal. 102: 661a-662a |