| Year |
Citation |
Score |
| 2024 |
Bogetti AT, Zwier MC, Chong LT. Revisiting Textbook Azide-Clock Reactions: A "Propeller-Crawling" Mechanism Explains Differences in Rates. Journal of the American Chemical Society. 146: 12828-12835. PMID 38687173 DOI: 10.1021/jacs.4c03360 |
0.655 |
|
| 2023 |
Bogetti AT, Leung JMG, Russo JD, Zhang S, Thompson JP, Saglam AS, Ray D, Mostofian B, Pratt AJ, Abraham RC, Harrison PO, Dudek M, Torrillo PA, DeGrave AJ, Adhikari U, ... ... Zwier MC, et al. A Suite of Tutorials for the WESTPA 2.0 Rare-Events Sampling Software [Article v2.0]. Living Journal of Computational Molecular Science. 5. PMID 37200895 DOI: 10.33011/livecoms.5.1.1655 |
0.807 |
|
| 2022 |
Russo JD, Zhang S, Leung JMG, Bogetti AT, Thompson JP, DeGrave AJ, Torrillo PA, Pratt AJ, Wong KF, Xia J, Copperman J, Adelman JL, Zwier MC, LeBard DN, Zuckerman DM, et al. WESTPA 2.0: High-Performance Upgrades for Weighted Ensemble Simulations and Analysis of Longer-Timescale Applications. Journal of Chemical Theory and Computation. PMID 35043623 DOI: 10.1021/acs.jctc.1c01154 |
0.725 |
|
| 2019 |
Bogetti AT, Mostofian B, Dickson A, Pratt AJ, Saglam AS, Harrison PO, Adelman JL, Dudek M, Torrillo PA, DeGrave AJ, Adhikari U, Zwier MC, Zuckerman DM, Chong LT. A Suite of Tutorials for the WESTPA Rare-Events Sampling Software [Article v1.0]. Living Journal of Computational Molecular Science. 1. PMID 32395705 DOI: 10.33011/livecoms.1.2.10607 |
0.73 |
|
| 2017 |
Saglam AS, Wang D, Zwier MC, Chong LT. Flexibility vs. Preorganization: Direct Comparison of Binding Kinetics for a Disordered Peptide and Its Exact Preorganized Analogues. The Journal of Physical Chemistry. B. PMID 28992700 DOI: 10.1021/Acs.Jpcb.7B08486 |
0.75 |
|
| 2016 |
Zwier MC, Pratt A, Adelman JL, Kaus JW, Zuckerman DM, Chong LT. 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. PMID 27532687 DOI: 10.1021/Acs.Jpclett.6B01502 |
0.761 |
|
| 2015 |
Zwier MC, Adelman JL, Kaus JW, Pratt AJ, Wong KF, Rego NB, Suárez E, Lettieri S, Wang DW, Grabe M, Zuckerman DM, Chong LT. WESTPA: An interoperable, highly scalable software package for weighted ensemble simulation and analysis. Journal of Chemical Theory and Computation. 11: 800-809. PMID 26392815 DOI: 10.1021/Ct5010615 |
0.776 |
|
| 2015 |
Zwier MC, Adelman JL, Kaus JW, Pratt AJ, Wong KF, Rego NB, Suárez E, Lettieri S, Wang DW, Grabe M, Zuckerman DM, Chong LT. WESTPA: An interoperable, highly scalable software package for weighted ensemble simulation and analysis Journal of Chemical Theory and Computation. 11: 800-809. DOI: 10.1021/ct5010615 |
0.746 |
|
| 2014 |
Suárez E, Lettieri S, Zwier MC, Stringer CA, Subramanian SR, Chong LT, Zuckerman DM. Simultaneous Computation of Dynamical and Equilibrium Information Using a Weighted Ensemble of Trajectories. Journal of Chemical Theory and Computation. 10: 2658-2667. PMID 25246856 DOI: 10.1021/Ct401065R |
0.723 |
|
| 2012 |
Adelman JL, Dale AL, Zwier MC, Bhatt D, Chong LT, Zuckerman DM, Grabe M. Insight into the Alternating Access Mechanism of the Sodium Symporter Mhp1 using Path Sampling Simulations Biophysical Journal. 102: 661a-662a. DOI: 10.1016/J.Bpj.2011.11.3604 |
0.675 |
|
| 2012 |
Stringer C, Zwier M, Chong L, Zuckerman D. Equilibrium Sampling using a Weighted Ensemble of Dynamical Trajectories Biophysical Journal. 102: 21a. DOI: 10.1016/J.Bpj.2011.11.142 |
0.696 |
|
| 2011 |
Zwier MC, Kaus JW, Chong LT. Efficient Explicit-Solvent Molecular Dynamics Simulations of Molecular Association Kinetics: Methane/Methane, Na(+)/Cl(-), Methane/Benzene, and K(+)/18-Crown-6 Ether. Journal of Chemical Theory and Computation. 7: 1189-1197. PMID 26606365 DOI: 10.1021/Ct100626X |
0.704 |
|
| 2011 |
Adelman JL, Dale AL, Zwier MC, Bhatt D, Chong LT, Zuckerman DM, Grabe M. Simulations of the alternating access mechanism of the sodium symporter Mhp1. Biophysical Journal. 101: 2399-407. PMID 22098738 DOI: 10.1016/J.Bpj.2011.09.061 |
0.654 |
|
| 2011 |
Xiong K, Zwier MC, Myshakina NS, Burger VM, Asher SA, Chong LT. Direct observations of conformational distributions of intrinsically disordered p53 peptides using UV Raman and explicit solvent simulations. The Journal of Physical Chemistry. A. 115: 9520-7. PMID 21528875 DOI: 10.1021/Jp112235D |
0.679 |
|
| 2010 |
Zwier MC, Chong LT. Reaching biological timescales with all-atom molecular dynamics simulations. Current Opinion in Pharmacology. 10: 745-52. PMID 20934381 DOI: 10.1016/J.Coph.2010.09.008 |
0.739 |
|
| 2007 |
Zwier MC, Shorb JM, Krueger BP. Hybrid molecular dynamics-quantum mechanics simulations of solute spectral properties in the condensed phase: evaluation of simulation parameters. Journal of Computational Chemistry. 28: 1572-81. PMID 17342706 DOI: 10.1002/Jcc.20662 |
0.341 |
|
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