| A suite of tutorials for the WESTPA rare-events sampling software [Article v1. 0] AT Bogetti, B Mostofian, A Dickson, AJ Pratt, AS Saglam, PO Harrison, ... Living journal of computational molecular science 1 (2), 2019 | 777 | 2019 |
| Reaching biological timescales with all-atom molecular dynamics simulations MC Zwier, LT Chong Current opinion in pharmacology 10 (6), 745-752, 2010 | 196 | 2010 |
| WESTPA: An interoperable, highly scalable software package for weighted ensemble simulation and analysis MC Zwier, JL Adelman, JW Kaus, AJ Pratt, KF Wong, NB Rego, E Suárez, ... Journal of chemical theory and computation 11 (2), 800-809, 2015 | 157 | 2015 |
| Fretting about FRET: Correlation between κ and R DB VanBeek, MC Zwier, JM Shorb, BP Krueger Biophysical journal 92 (12), 4168-4178, 2007 | 125 | 2007 |
| Efficient atomistic simulation of pathways and calculation of rate constants for a protein–peptide binding process: Application to the MDM2 protein and an intrinsically … MC Zwier, AJ Pratt, JL Adelman, JW Kaus, DM Zuckerman, LT Chong The journal of physical chemistry letters 7 (17), 3440-3445, 2016 | 106 | 2016 |
| Simultaneous computation of dynamical and equilibrium information using a weighted ensemble of trajectories E Suárez, S Lettieri, MC Zwier, SR Subramanian, LT Chong, ... Biophysical Journal 106 (2), 406a, 2014 | 104 | 2014 |
| Simulations of the alternating access mechanism of the sodium symporter Mhp1 JL Adelman, AL Dale, MC Zwier, D Bhatt, LT Chong, DM Zuckerman, ... Biophysical journal 101 (10), 2399-2407, 2011 | 68 | 2011 |
| Efficient Explicit-Solvent Molecular Dynamics Simulations of Molecular Association Kinetics: Methane/Methane, Na+/Cl−, Methane/Benzene, and K+/18-Crown-6 … MC Zwier, JW Kaus, LT Chong Journal of Chemical Theory and Computation 7 (4), 1189-1197, 2011 | 59 | 2011 |
| WESTPA 2.0: High-performance upgrades for weighted ensemble simulations and analysis of longer-timescale applications JD Russo, S Zhang, JMG Leung, AT Bogetti, JP Thompson, AJ DeGrave, ... Journal of Chemical Theory and Computation 18 (2), 638-649, 2022 | 55 | 2022 |
| Hybrid molecular dynamics‐quantum mechanics simulations of solute spectral properties in the condensed phase: Evaluation of simulation parameters MC Zwier, JM Shorb, BP Krueger Journal of Computational Chemistry 28 (9), 1572-1581, 2007 | 49 | 2007 |
| Flexibility vs preorganization: Direct comparison of binding kinetics for a disordered peptide and its exact preorganized analogues AS Saglam, DW Wang, MC Zwier, LT Chong The Journal of Physical Chemistry B 121 (43), 10046-10054, 2017 | 23 | 2017 |
| Direct observations of conformational distributions of intrinsically disordered p53 peptides using UV Raman and explicit solvent simulations K Xiong, MC Zwier, NS Myshakina, VM Burger, SA Asher, LT Chong The Journal of Physical Chemistry A 115 (34), 9520-9527, 2011 | 21 | 2011 |
| A Suite of Advanced Tutorials for the WESTPA 2.0 Rare-Events Sampling Software [Article v0. 1] AT Bogetti, JMG Leung, JD Russo, S Zhang, JP Thompson, AS Saglam, ... bioRxiv, 2022.10. 04.510803, 2022 | 8 | 2022 |
| Bridging the microscopic and macroscopic in thermodynamics with molecular dynamics simulations: lab exercises for undergraduate physical chemistry MC Zwier Engaging Students in Physical Chemistry, 33-48, 2018 | 2 | 2018 |
| Revisiting textbook azide-clock reactions: A “propeller-crawling” mechanism explains differences in rates AT Bogetti, MC Zwier, LT Chong Journal of the American Chemical Society 146 (18), 12828-12835, 2024 | 1 | 2024 |
| Just in time research: The advantages and pitfalls of a student-led interdisciplinary undergraduate research experience M Zwier, T Urness J. Comput. Sci. Coll 33 (5), 179-185, 2018 | 1 | 2018 |
| Use of molecular dynamics simulations in analysis of fluorescence-detected resonance energy transfer (FRET) experiments MC Zwier, BP Krueger BIOPHYSICAL JOURNAL 84 (2), 476A-476A, 2003 | 1 | 2003 |
| Revisiting the classic azide-clock reaction: Direct simulation of pathways reveals a rate-limiting activation step A Bogetti, M Zwier, L Chong | | 2023 |
| Motion of the calmodulin/ryanodine receptor complex determined using NMR residual dipolar coupling experiments and molecular dynamics simulations L Cooper, P Grewe, S Roman, M Zwier ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
| Efficient QM/MM simulations of a diffusion-controlled chemical reaction MC Zwier, DJ Hatfield, CT Andrews, AH Elcock, LT Chong ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, 2012 | | 2012 |
