@inproceedings{30f0d12ba0d742f7b081329f923664d5,
title = "A novel 3D visualization approach: A proof-of-concept study on the histidine residues in myoglobin",
abstract = "We present a proof-of-concept study towards the development of a novel 3D visualization method, based on the existence in proteins - in addition to the extrinsic geometry - of two independent intrinsic geometric structures determined by the peptide planes and the side chains. The method makes use of the construction of a series of orthonormal coordinate frames along the protein side chains and mapping the atoms positions onto a unit sphere. We apply our method to analyze distal and proximal histidine residues in myoglobin. The results are in good agreement with biological data and provide a new perspective for further understanding of structure and function of histidine in myoglobin. This suggests the method can reliably depict the spatial orientation of side-chain covalent bonds in a protein and may eventually be advanced into a valuable visual tool for protein-structure prediction, validation and refinement, complementary to widely used visualization suits like VMD, Jmol, PyMOL and others.",
author = "Y. Hou and Niemi, {A. J.} and X. Peng and J. He and N. Ilieva",
note = "Publisher Copyright: {\textcopyright} 2019 Author(s).; 11th International Conference for Promoting the Application of Mathematics in Technical and Natural Sciences, AMiTaNS 2019 ; Conference date: 20-06-2019 Through 25-06-2019",
year = "2019",
month = oct,
day = "24",
doi = "10.1063/1.5130827",
language = "English",
series = "AIP Conference Proceedings",
publisher = "American Institute of Physics Inc.",
editor = "Todorov, {Michail D.}",
booktitle = "Application of Mathematics in Technical and Natural Sciences",
address = "United States",
}