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Timothy C. Moore
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Derivation of coarse-grained potentials via multistate iterative Boltzmann inversion
TC Moore, CR Iacovella, C McCabe
Journal of Chemical Physics 140, 224104, 2014
2132014
Simulation study of the structure and phase behavior of ceramide bilayers and the role of lipid headgroup chemistry
S Guo, TC Moore, CR Iacovella, LA Strickland, C McCabe
Journal of chemical theory and computation 9 (11), 5116-5126, 2013
842013
Analysis of self-assembly pathways with unsupervised machine learning algorithms
CS Adorf, TC Moore, YJU Melle, SC Glotzer
The Journal of Physical Chemistry B 124 (1), 69-78, 2019
452019
Effect of ceramide tail length on the structure of model stratum corneum lipid bilayers
TC Moore, R Hartkamp, CR Iacovella, AL Bunge, C McCabe
Biophysical Journal 114 (1), 113-125, 2018
402018
A Coarse-Grained Model of Stratum Corneum Lipids: Free Fatty Acids and Ceramide NS
CMC Timothy Craig Moore, Christopher R Iacovella, Remco Hartkamp, Annette L ...
The Journal of Physical Chemistry B, 2016
252016
Investigating the structure of multicomponent gel-phase lipid bilayers
R Hartkamp, TC Moore, CR Iacovella, MA Thompson, PA Bulsara, ...
Biophysical Journal 111 (4), 813-823, 2016
252016
Molecular dynamics simulations of stratum corneum lipid mixtures: A multiscale perspective
TC Moore, CR Iacovella, A Leonhard, AL Bunge, C McCabe
Biochemical and Biophysical Research Communications, 2017
212017
Composition dependence of water permeation across multicomponent gel-phase bilayers
R Hartkamp, TC Moore, CR Iacovella, MA Thompson, PA Bulsara, ...
The Journal of Physical Chemistry B 122 (12), 3113-3123, 2018
202018
Using molecular simulation to understand the skin barrier
P Shamaprasad, CO Frame, TC Moore, A Yang, CR Iacovella, ...
Progress in lipid research 88, 101184, 2022
192022
Influence of single-stranded DNA coatings on the interaction between graphene nanoflakes and lipid bilayers
TC Moore, AH Yang, O Ogungbesan, R Hartkamp, CR Iacovella, Q Zhang, ...
The Journal of Physical Chemistry B 123 (36), 7711-7721, 2019
152019
Development of a coarse-grained water forcefield via multistate iterative Boltzmann inversion
TC Moore, CR Iacovella, C McCabe
Foundations of Molecular Modeling and Simulation: Select Papers from FOMMS …, 2016
122016
Tuning stoichiometry to promote formation of binary colloidal superlattices
RA LaCour, TC Moore, SC Glotzer
Physical Review Letters 128 (18), 188001, 2022
112022
Shape-driven entropic self-assembly of an open, reconfigurable, binary host–guest colloidal crystal
TC Moore, JA Anderson, SC Glotzer
Soft Matter 17, 2840-2848, 2021
92021
Multiscale simulation of ternary stratum corneum lipid mixtures: effects of cholesterol composition
P Shamaprasad, TC Moore, D Xia, CR Iacovella, AL Bunge, C McCabe
Langmuir 38 (24), 7496-7511, 2022
82022
Structural Properties of Phospholipid-based Bilayers with Long-Chain Alcohol Molecules in the Gel Phase
CMC Remco Hartkamp, Timothy C Moore, Christopher R Iacovella, Michael A ...
The Journal of Physical Chemistry B 120 (50), 12863-12871, 2016
72016
Crystallization of binary nanocrystal superlattices and the relevance of short-range attraction
E Marino, RA LaCour, TC Moore, SW van Dongen, AW Keller, D An, ...
Nature Synthesis 3 (1), 111-122, 2024
32024
Examining Tail and Headgroup Effects on Binary and Ternary Gel-Phase Lipid Bilayer Structure
A Yang, TC Moore, CR Iacovella, M Thompson, DJ Moore, C McCabe
The Journal of Physical Chemistry B 124 (15), 3043-3053, 2020
32020
Inverse design of triblock Janus spheres for self-assembly of complex structures in the crystallization slot via digital alchemy
LY Rivera-Rivera, TC Moore, SC Glotzer
Soft Matter 19 (15), 2726-2736, 2023
22023
Tunable assembly of host–guest colloidal crystals
T Dwyer, TC Moore, JA Anderson, SC Glotzer
Soft Matter 19 (36), 7011-7019, 2023
12023
Development of coarse-grained model for a minimal stratum corneum lipid mixture
P Shamaprasad, TC Moore, D Xia, CR Iacovella, AL Bunge, C McCabe
bioRxiv, 2021.10. 04.463115, 2021
2021
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