@inproceedings{b92d12bf4ebf4d1285de1fde54c4ba79,
title = "Docking Simulation of (Anionic) Schiff Base Metal Complexes and Proteins",
abstract = "In the docking calculation of protein ligands, when the ligand is a metal complex, (the presence or absence of) coordination bonds may become an additional factor, and it becomes more complicated than the bonding modes due to non-covalent (van der Waals force or hydrogen) bonds, weakly covalent bond, and Coulomb force. Hence we are experimentally making predictions using computational chemistry and proving (structures and functionaliries). In this study, we will also introduce docking via Coulomb force between an anionic Schiff base metal complex and lysozyme protein to examine experimentally as well as computationally.",
author = "Takashiro Akitsu and Ryotaro Miyazaki and Kana Hasegawa and Kae Senoo and Daisuke Nakane",
note = "Publisher Copyright: {\textcopyright} 2025 American Institute of Physics Inc.. All rights reserved.; 2023 International Conference of Computational Methods in Sciences and Engineering, ICCMSE 2023 ; Conference date: 23-05-2023 Through 26-05-2023",
year = "2025",
month = jan,
day = "24",
doi = "10.1063/5.0247359",
language = "English",
series = "AIP Conference Proceedings",
publisher = "American Institute of Physics",
number = "1",
editor = "Simos, {Theodore E.} and Simos, {Theodore E.} and Simos, {Theodore E.} and Simos, {Theodore E.} and Charalambos Tsitouras",
booktitle = "AIP Conference Proceedings",
edition = "1",
}