Solution structure of macromolecules using small angle neutron scattering and molecular simulations
University College London, Gower Street, London WC1E 6BT, UK
* Corresponding author: email@example.com
Published online: 1 July 2020
An introductory account of using molecular simulations to deduce solution structure of macromolecules using small angle neutron scattering data is presented for biologists. The presence of a liquid solution provides mobility to the molecules, making it difficult to pin down their structure. Here a simple introduction to molecular dynamics and Monte Carlo techniques is followed by a recipe to use the output of the simulations along with the scattering data in order to infer the structure of macromolecules when they are placed in a liquid solution. Some practical issues to be watched for are also highlighted.
© The Authors, published by EDP Sciences, 2020
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