X-ray dynamical diffraction in amino acid crystals: a step towards improving structural resolution of biological molecules via physical phase measurements
Materials Science
2017-02-14 v2
Abstract
In this work, experimental and data analysis procedures were developed and applied for studying amino acid crystals by means of X-ray phase measurements. It clearly demonstrated the sensitivity of invariant triplet phases to electronic charge distribution in D-alanine crystal, providing useful information on intermolecular forces for molecular dynamics calculations. Feasibility of phase measurements to investigate radiation damage mechanisms is also discussed on experimental and theoretical grounds.
Keywords
Cite
@article{arxiv.1611.07666,
title = {X-ray dynamical diffraction in amino acid crystals: a step towards improving structural resolution of biological molecules via physical phase measurements},
author = {Sérgio L. Morelhão and Cláudio M. R. Remédios and Guilherme Calligaris and Gareth Nisbet},
journal= {arXiv preprint arXiv:1611.07666},
year = {2017}
}
Comments
13 pages and 12 figures, Journal of Applied Crystallography - XTOP 2016