An Efficient Approach to the Accurate Prediction of Mutational Effects in Antigen Binding to the MHC1.

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作者： Mengchen,Zhou ^[1] ; Fanyu,Zhao ^[2] ; Lan,Yu ^[3] ; Jinfeng,Liu ^[3] ; Jian,Wang ^[4] ; John Z H,Zhang ^[1]

作者单位： Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry & Chemical Process, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200062, China. ^[1] NYU-ECNU Center for Computational Chemistry and Shanghai Frontiers Science Center of AI and DL, NYU Shanghai, 567 West Yangsi Road, Shanghai 200126, China. ^[2] Department of Basic Medicine and Clinical Pharmacy, China Pharmaceutical University, Nanjing 210009, China. ^[3] Faculty of Synthetic Biology and Institute of Synthetic Biology, Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Shenzhen 518055, China. ^[4] Department of Chemistry, New York University, New York, NY 10003, USA. ^[5] Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan 030006, China. ^[6]

关键词 MHC alanine scanning binding free energy hotspot residues peptide point mutations

主题词肽类(Peptides);蛋白质类(Proteins);蛋白质结合(Protein Binding);主要组织相容性复合物(Major Histocompatibility Complex);组织相容性抗原(Histocompatibility Antigens);丙氨酸(Alanine)

DOI 10.3390/molecules29040881

PMID 38398632

发布时间 2024-02-27

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