Publications


Some writing

Disordered Filaments Mediate the Fibrillogenesis of Type-I Collagen in Solution
Paper
Biomacromolecules, 21(9), 3631, 2020
Andrew R. McCluskey, Kennes S. W. Hung, Bartosz Marzec, Julien O. Sindt, Nico A. J. M. Sommerdijk, Philip J. Camp, Fabio Nudelman
Using cryogenic transmission electron microscopy and coarse-grained simulations to study the formation of collagen fibrils.


A general approach to maximise information density in neutron reflectometry analysis
Paper | ESI | Data | arXiv
Mach. Learn.: Sci. Technol., 1(3), 035002, 2020
Andrew R. McCluskey*, Thomas Arnold, Joshaniel F. K. Cooper, Tim Snow
Outlining and applying a Bayesian model selection framework for neutron reflectometry analysis.


uravu: Making Bayesian modelling easy(er)
Paper | Code | Docs
J. Open Source Softw., 5(50), 2214, 2020
Andrew R. McCluskey*, Tim Snow
A straightforward library for Bayesian data analysis.


Coarse-grained modelling for soft-matter scattering
Thesis | ESI
University of Bath, PhD Thesis, 2019
Andrew R. McCluskey
An investigation of different coarse-graining methods to develop the analysis of scattering from soft matter species.


Assessing molecular simulation for the analysis of lipid monolayer reflectometry
Paper | ESI | Data | arXiv
J. Phys. Comm., 3(7), 075001, 2019
Andrew R. McCluskey*, James Grant, Andrew J. Smith, Jonathan L. Rawle, David J. Barlow, M. Jayne Lawrence, Stephen C. Parker, Karen J. Edler*
Comparing different molecular dynamics potential models to improve reflectometry analysis.


An introduction to classical molecular dynamics simulation for experimental scattering users
Paper | ESI | OER | arXiv
J. Appl. Crystallogr., 52(3), 665, 2019
Andrew R. McCluskey*, James Grant, Adam R. Symington, Tim Snow, James Doutch, Benjamin J. Morgan*, Stephen C. Parker, Karen J. Edler

An open educational resource to engage users of scattering techniques in classical simulation.


Bayesian determination of the effect of a deep eutectic solvent on the structure of lipid monolayers
Paper | ESI | Data | arXiv
Phys. Chem, Chem. Phys., 21(11), 6133, 2019
Andrew R. McCluskey*, Adrian Sanchez-Fernandez, Karen J. Edler, Stephen C. Parker, Andrew J. Jackson, Richard A. Campbell, and Thomas Arnold*

A novel reflectometry analysis method reveals the structure of lipid monolayers at the air-DES interface.


pylj: A teaching tool for classical atomistic simulation
Paper | Code | Docs
J. Open Source Educ., 1(2), 19, 2018
Andrew R. McCluskey*, Benjamin J. Morgan, Karen J. Edler, and Stephen C. Parker
pylj is an educational software to introduce students to classical atomistic simulation using a Lennnard-Jones potential model.


Model-dependent Small-angle Scattering for the Study of Complex Organic Materials
Paper
Curr. Org. Chem., 22(8), 750-757, 2018
Andrew R. McCluskey and Karen J. Edler*
This review article introduces the method of model-dependent analysis of small angle scattering.