| Numéro |
EPJ Web Conf.
Volume 236, 2020
JDN 24 - Neutrons and Biology
|
|
|---|---|---|
| Numéro d'article | 03003 | |
| Nombre de pages | 15 | |
| Section | Small-angle Scattering | |
| DOI | https://doi.org/10.1051/epjconf/202023603003 | |
| Publié en ligne | 1 juillet 2020 | |
https://doi.org/10.1051/epjconf/202023603003
Solution structure of macromolecules using small angle neutron scattering and molecular simulations
University College London, Gower Street, London WC1E 6BT, UK
* Corresponding author: bhatt@physics.org
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
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.