| The theory of ultra-coarse-graining. 1. General principles JF Dama, AV Sinitskiy, M McCullagh, J Weare, B Roux, AR Dinner, ... Journal of chemical theory and computation 9 (5), 2466-2480, 2013 | 193 | 2013 |
| Modeling self-assembly processes driven by nonbonded interactions in soft materials M McCullagh, T Prytkova, S Tonzani, ND Winter, GC Schatz The Journal of Physical Chemistry B 112 (34), 10388-10398, 2008 | 101 | 2008 |
| Unraveling the mystery of ATP hydrolysis in actin filaments M McCullagh, MG Saunders, GA Voth Journal of the American Chemical Society 136 (37), 13053-13058, 2014 | 98 | 2014 |
| Conformational control of TT dimerization in DNA conjugates. A molecular dynamics study M McCullagh, M Hariharan, FD Lewis, D Markovitsi, T Douki, GC Schatz The Journal of Physical Chemistry B 114 (15), 5215-5221, 2010 | 85 | 2010 |
| DNA-based optomechanical molecular motor M McCullagh, I Franco, MA Ratner, GC Schatz Journal of the American Chemical Society 133 (10), 3452-3459, 2011 | 70 | 2011 |
| Electron donor–acceptor interactions with flanking purines influence the efficiency of thymine photodimerization Z Pan, M Hariharan, JD Arkin, AS Jalilov, M McCullagh, GC Schatz, ... Journal of the American Chemical Society 133 (51), 20793-20798, 2011 | 56 | 2011 |
| Unraveling the role of the protein environment for [FeFe]-hydrogenase: a new application of coarse-graining M McCullagh, GA Voth The Journal of Physical Chemistry B 117 (15), 4062-4071, 2013 | 53 | 2013 |
| Conformational control of thymine photodimerization in single-strand and duplex DNA containing locked nucleic acid TT steps M Hariharan, M McCullagh, GC Schatz, FD Lewis Journal of the American Chemical Society 132 (37), 12856-12858, 2010 | 43 | 2010 |
| Allostery in the dengue virus NS3 helicase: Insights into the NTPase cycle from molecular simulations RB Davidson, J Hendrix, BJ Geiss, M McCullagh PLoS Computational Biology 14 (4), e1006103, 2018 | 41 | 2018 |
| Conformational control of thymine photodimerization in purine-containing trinucleotides Z Pan, M McCullagh, GC Schatz, FD Lewis The Journal of Physical Chemistry Letters 2 (12), 1432-1438, 2011 | 34 | 2011 |
| Conserved motifs in the flavivirus NS3 RNA helicase enzyme KE Du Pont, M McCullagh, BJ Geiss Wiley Interdisciplinary Reviews: RNA 13 (2), e1688, 2022 | 33 | 2022 |
| Electrostatic interactions between the Bni1p Formin FH2 domain and actin influence actin filament nucleation JL Baker, N Courtemanche, DL Parton, M McCullagh, TD Pollard, ... Structure 23 (1), 68-79, 2015 | 32 | 2015 |
| Size-and-shape space gaussian mixture models for structural clustering of molecular dynamics trajectories H Klem, GM Hocky, M McCullagh Journal of chemical theory and computation 18 (5), 3218-3230, 2022 | 28 | 2022 |
| Photodissociation of allyl-d2 iodide excited at 193 nm: Stability of highly rotationally excited H2CDCH2 radicals to C–D fission DE Szpunar, Y Liu, MJ McCullagh, LJ Butler, J Shu The Journal of chemical physics 119 (10), 5078-5084, 2003 | 27 | 2003 |
| Motif V regulates energy transduction between the flavivirus NS3 ATPase and RNA-binding cleft KE Du Pont, RB Davidson, M McCullagh, BJ Geiss Journal of Biological Chemistry 295 (6), 1551-1564, 2020 | 26 | 2020 |
| Ground and excited state electronic spectra of perylenediimide dimers with flexible and rigid geometries in DNA conjugates PP Neelakandan, TA Zeidan, M McCullagh, GC Schatz, J Vura-Weis, ... Chemical Science 5 (3), 973-981, 2014 | 23 | 2014 |
| Deterring Effect of Resins on the Aggregation of Asphaltenes in n-Heptane M Derakhshani-Molayousefi, M McCullagh Energy & Fuels 34 (12), 16081-16088, 2020 | 21 | 2020 |
| Effect of loop distortion on the stability and structural dynamics of DNA hairpin and dumbbell conjugates M McCullagh, L Zhang, AH Karaba, H Zhu, GC Schatz, FD Lewis The Journal of Physical Chemistry B 112 (36), 11415-11421, 2008 | 21 | 2008 |
| Residue-level allostery propagates through the effective coarse-grained hessian PT Lake, RB Davidson, H Klem, GM Hocky, M McCullagh Journal of chemical theory and computation 16 (5), 3385-3395, 2020 | 20 | 2020 |
| Elucidating structural evolution of perylene diimide aggregates using vibrational spectroscopy and molecular dynamics simulations MA Mattson, TD Green, PT Lake, M McCullagh, AT Krummel The Journal of Physical Chemistry B 122 (18), 4891-4900, 2018 | 18 | 2018 |
Gregory A. VothHaig P. Papazian Distinguished Service Professor, Department of Chemistry, The University of ChicagoVerified email at uchicago.edu
