| 학회 |
한국공업화학회 |
| 학술대회 |
2022년 봄 (05/11 ~ 05/13, 제주국제컨벤션센터(ICC JEJU)) |
| 권호 |
26권 1호 |
| 발표분야 |
포스터-생물공학 |
| 제목 |
Assessment of Computational Modeling of Fc-Fc receptor binding through Protein-Protein Docking tool |
| 초록 |
Computational protein-protein docking can be employed in structural study of protein-protein interaction, but its efficiency and reliability are still unstable and need to be validated and optimized for respective target protein complexes. In this study, we investigated and assessed the computational modeling efficiency of Fc-FcγR complex through HADDOCK by defining five different sets of active residues, a major parameter to determine the prediction efficiency of HADDOCK. The binding residues identified experimentally or the residues in the binding pocket were confirmed to be efficient active residues to achieve a high prediction efficiency, and too narrower or wider specification of active residues led to poor prediction efficiency. Most binding residues and crucial molecular interactions such as conserved interactions and hydrogen bonds in the crystal structure were reproduced in the best model. |
| 저자 |
Jebamani Petrina, Sun-Gu Lee
|
| 소속 |
Pusan National Univ. |
| 키워드 |
protein-protein docking; HADDOCK; Fc fragment; Fc receptor; binding residues; molecular interaction
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| E-Mail |
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