Martin McCullagh
Title
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Cited by
Year
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
1152013
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
832008
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
712010
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
572014
DNA-based optomechanical molecular motor
M McCullagh, I Franco, MA Ratner, GC Schatz
Journal of the American Chemical Society 133 (10), 3452-3459, 2011
502011
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
422011
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
402011
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
332010
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
322013
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
242011
Photodissociation of iodide excited at 193 nm: Stability of highly rotationally excited 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
242003
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
212008
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
162015
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
162014
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
122018
Defects in DNA: lessons from molecular motor design
M McCullagh, I Franco, MA Ratner, GC Schatz
The Journal of Physical Chemistry Letters 3 (6), 689-693, 2012
102012
Self‐Assembly of Perylenediimide–Single‐Strand‐DNA Conjugates: Employing Hydrophobic Interactions and DNA Base‐Pairing To Create a Diverse Structural Space
AK Mishra, H Weissman, E Krieg, KA Votaw, M McCullagh, B Rybtchinski, ...
Chemistry–A European Journal 23 (43), 10328-10337, 2017
92017
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
82018
Thymine photodimer formation in DNA hairpins. Unusual conformations favor (6− 4) vs.(2+ 2) adducts
M Hariharan, K Siegmund, C Saurel, M McCullagh, GC Schatz, FD Lewis
Photochemical & Photobiological Sciences 13 (2), 266-271, 2014
62014
Deriving coarse-grained charges from all-atom systems: an analytic solution
P McCullagh, PT Lake, M McCullagh
Journal of Chemical Theory and Computation 12 (9), 4390-4399, 2016
52016
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Articles 1–20