TY - T1 - Proteochemometric Modeling of the Antigen-Antibody Interaction : New Fingerprints for Antigen, Antibody and Epitope-Paratope Interaction SN - / UR - http://hdl.handle.net/10138/160349 T3 - A1 - Qiu, Tianyi; Xiao, Han; Zhang, Qingchen; Qiu, Jingxuan; Yang, Yiyan; Wu, Dingfeng; Cao, Zhiwei; Zhu, Ruixin A2 - PB - Y1 - 2015 LA - eng AB - Despite the high specificity between antigen and antibody binding, similar epitopes can be recognized or cross-neutralized by paratopes of antibody with different binding affinities. How to accurately characterize this slight variation which may or may not change the antigen-antibody binding affinity is a key issue in this area. In this report, by combining cylinder model with shell structure model, a new fingerprint was introduced to describe both the structural and physical-chemical features o... VO - IS - SP - OP - KW - PROTEIN-BINDING SITES; CRYSTAL-STRUCTURE; SPACE; RECOGNITION; PREDICTION; INHIBITORS; INTERFACE; ALIGNMENT; PATTERNS; SURFACES; 113 Computer and information sciences N1 - PP - ER -