GNN-based Antibody Structure Prediction using Quaternion and Euler Angle Combined Representation

Young Han Son, Dong Hee Shin, Ji Wung Han, Seong Hyeon Won, Tae Eui Kam

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Citation (Scopus)

Abstract

In recent years, antibodies have gained much attention because they are immune system proteins playing essential roles in vaccine development. Since the 3D structures of the proteins are related to various biological interactions, the importance of 3D protein structures has been highlighted from various researches and proper representation of orientations has become a significant issue in antibody structure prediction tasks. In this paper, we use the combination of Quaternion and Euler angle methods to obtain a rich representation of the rotation between orientations. The main advantage of the method is that both Quaternion and Euler angle methods can compensate for each other to achieve higher interpretability and expressivity than the single use each method. In the experiment, we compare the results of the proposed method to the competing method, and the experimental results show further improvement in Root Mean Square Deviation (RMSD) up to 4.92%, demonstrating the effectiveness and robustness of our proposed method.

Original languageEnglish
Title of host publication2022 IEEE International Conference on Consumer Electronics-Asia, ICCE-Asia 2022
PublisherInstitute of Electrical and Electronics Engineers Inc.
ISBN (Electronic)9781665464345
DOIs
Publication statusPublished - 2022
Event2022 IEEE International Conference on Consumer Electronics-Asia, ICCE-Asia 2022 - Yeosu, Korea, Republic of
Duration: 2022 Oct 262022 Oct 28

Publication series

Name2022 IEEE International Conference on Consumer Electronics-Asia, ICCE-Asia 2022

Conference

Conference2022 IEEE International Conference on Consumer Electronics-Asia, ICCE-Asia 2022
Country/TerritoryKorea, Republic of
CityYeosu
Period22/10/2622/10/28

Bibliographical note

Funding Information:
This work was supported by Institute of Information and communications Technology Planning and Evaluation (IITP) grant funded by the Korea government(MSIT) (No. 2019-0-00079, Artificial Intelligence Graduate School Program(Korea University), National Research Foundation of Korea (NRF) grant funded by the Korea government(MSIT) (No. 2020R1C1C1013830, No. 2020R1A4A1018309). This research was also supported by National Research Foundation (NRF), Korea, under project BK21 FOUR operated by the Center for Teaching and Learning of Korea University

Funding Information:
This work was supported by Institute of Information & communications Technology Planning & Evaluation (IITP) grant funded by the Korea government(MSIT) (No. 2019-0-00079, Artificial Intelligence Graduate School Program(Korea University), National Research Foundation of Korea (NRF) grant funded by the Korea government(MSIT) (No. 2020R1C1C1013830, No. 2020R1A4A1018309). This research was also supported by National Research Foundation (NRF), Korea, under project BK21 FOUR operated by the Center for Teaching and Learning of Korea University.

Publisher Copyright:
© 2022 IEEE.

Keywords

  • 3D structure prediction
  • Antibody
  • Euler angle
  • GNN
  • Quaternion
  • Rotation representation

ASJC Scopus subject areas

  • Computer Science Applications
  • Electrical and Electronic Engineering
  • Media Technology
  • Instrumentation

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