The SARS-CoV-2 nucleocapsid protein is dynamic, disordered, and phase separates with RNA J Cubuk, JJ Alston, JJ Incicco, S Singh, MD Stuchell-Brereton, MD Ward, ... Nature Communications 12 (1), 1-17, 2021 | 475 | 2021 |
SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome MI Zimmerman, JR Porter, MD Ward, S Singh, N Vithani, A Meller, ... Nature chemistry 13 (7), 651-659, 2021 | 261* | 2021 |
Molecular structure of RADA16-I designer self-assembling peptide nanofibers AR Cormier, X Pang, MI Zimmerman, HX Zhou, AK Paravastu ACS nano 7 (9), 7562-7572, 2013 | 162 | 2013 |
FAST Conformational Searches by Balancing Exploration/Exploitation Trade-Offs MI Zimmerman, GR Bowman Journal of chemical theory and computation 11 (12), 5747-5757, 2015 | 159 | 2015 |
Antiparallel β-Sheet Structure within the C-Terminal Region of 42-Residue Alzheimer's Amyloid-β Peptides When They Form 150-kDa Oligomers D Huang, MI Zimmerman, PK Martin, AJ Nix, TL Rosenberry, ... Journal of molecular biology 427 (13), 2319-2328, 2015 | 91 | 2015 |
Choice of adaptive sampling strategy impacts state discovery, transition probabilities, and the apparent mechanism of conformational changes MI Zimmerman, JR Porter, X Sun, RR Silva, GR Bowman Journal of chemical theory and computation 14 (11), 5459-5475, 2018 | 75 | 2018 |
SARS-CoV-2 Nsp16 activation mechanism and a cryptic pocket with pan-coronavirus antiviral potential N Vithani, MD Ward, MI Zimmerman, B Novak, JH Borowsky, S Singh, ... Biophysical Journal 120 (14), 2880-2889, 2021 | 72 | 2021 |
Prediction of New Stabilizing Mutations Based on Mechanistic Insights from Markov State Models MI Zimmerman, KM Hart, CA Sibbald, TE Frederick, JR Jimah, ... ACS central science 3 (12), 1311-1321, 2017 | 70 | 2017 |
Designing small molecules to target cryptic pockets yields both positive and negative allosteric modulators KM Hart, KE Moeder, CMW Ho, MI Zimmerman, TE Frederick, ... PloS one 12 (6), e0178678, 2017 | 61 | 2017 |
Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets MD Ward, MI Zimmerman, A Meller, M Chung, SJ Swamidass, ... Nature Communications 12 (1), 1-12, 2021 | 57 | 2021 |
Cooperative changes in solvent exposure identify cryptic pockets, switches, and allosteric coupling JR Porter, KE Moeder, CA Sibbald, MI Zimmerman, KM Hart, ... Biophysical journal 116 (5), 818-830, 2019 | 57 | 2019 |
Spatial and temporal alterations in protein structure by EGF regulate cryptic cysteine oxidation JB Behring, S van der Post, AD Mooradian, MJ Egan, MI Zimmerman, ... Science signaling 13 (615), eaay7315, 2020 | 54 | 2020 |
Enspara: Modeling molecular ensembles with scalable data structures and parallel computing JR Porter, MI Zimmerman, GR Bowman The Journal of chemical physics 150 (4), 2019 | 51 | 2019 |
A cryptic pocket in Ebola VP35 allosterically controls RNA binding MA Cruz, TE Frederick, U Mallimadugula, S Singh, N Vithani, ... bioRxiv, 2020.02. 09.940510, 2020 | 35* | 2020 |
The Cap-Snatching SFTSV Endonuclease Domain Is an Antiviral Target W Wang, WJ Shin, B Zhang, Y Choi, JS Yoo, MI Zimmerman, TE Frederick, ... Cell Reports 30 (1), 153-163. e5, 2020 | 32 | 2020 |
Conformational distributions of isolated myosin motor domains encode their mechanochemical properties JR Porter, A Meller, MI Zimmerman, MJ Greenberg, GR Bowman Elife 9, e55132, 2020 | 30 | 2020 |
Solid-state NMR Evidence for β-hairpin structure within MAX8 designer peptide nanofibers SR Leonard, AR Cormier, X Pang, MI Zimmerman, HX Zhou, ... Biophysical journal 105 (1), 222-230, 2013 | 29 | 2013 |
Apolipoprotein E4 has extensive conformational heterogeneity in lipid-free and lipid-bound forms MD Stuchell-Brereton, MI Zimmerman, JJ Miller, UL Mallimadugula, ... Proceedings of the National Academy of Sciences 120 (7), e2215371120, 2023 | 15 | 2023 |
How to Run FAST Simulations MI Zimmerman, GR Bowman Methods in enzymology 578, 213-225, 2016 | 12 | 2016 |
Naturally Occurring Genetic Variants in the Oxytocin Receptor Alter Receptor Signaling Profiles M Malik, MD Ward, Y Fang, JR Porter, MI Zimmerman, T Koelblen, M Roh, ... ACS Pharmacology & Translational Science 4 (5), 1543-1555, 2021 | 9 | 2021 |