Design of nanobody-based bispecific constructs by in silico affinity maturation and umbrella sampling simulations

Autor: Zixuan Bai, Jiewen Wang, Jiaqi Li, Haibin Yuan, Ping Wang, Miao Zhang, Yuanhang Feng, Xiangtong Cao, Xiangan Cao, Guangbo Kang, Ario de Marco, He Huang

Publikováno v: Computational and Structural Biotechnology Journal, Vol 21, Iss , Pp 601-613 (2023)

Random mutagenesis is the natural opportunity for proteins to evolve and biotechnologically it has been exploited to create diversity and identify variants with improved characteristics in the mutant pools. Rational mutagenesis based on biophysical a

Externí odkaz: https://doaj.org/article/570a514caad546edb200e78c152b7308

Design of nanobody-based bispecific constructs by in silico affinity maturation and umbrella sampling simulations.

Autor: Bai Z; Department of Biochemical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300350, China.; Frontiers Science Center for Synthetic Biology and Key Laboratory of Systems Bioengineering (Ministry of Education), Tianjin University, Tianjin 300072, China., Wang J; Department of Biochemical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300350, China.; Frontiers Science Center for Synthetic Biology and Key Laboratory of Systems Bioengineering (Ministry of Education), Tianjin University, Tianjin 300072, China.; Institute of Shaoxing, Tianjin University, Zhejiang 312300, China., Li J; Department of Biochemical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300350, China.; Frontiers Science Center for Synthetic Biology and Key Laboratory of Systems Bioengineering (Ministry of Education), Tianjin University, Tianjin 300072, China.; Institute of Shaoxing, Tianjin University, Zhejiang 312300, China., Yuan H; Department of Biochemical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300350, China.; Frontiers Science Center for Synthetic Biology and Key Laboratory of Systems Bioengineering (Ministry of Education), Tianjin University, Tianjin 300072, China., Wang P; Tianjin Modern Innovative TCM Technology Co. Ltd., Tianjin, China., Zhang M; Department of Biochemical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300350, China.; Frontiers Science Center for Synthetic Biology and Key Laboratory of Systems Bioengineering (Ministry of Education), Tianjin University, Tianjin 300072, China.; China Resources Biopharmaceutical Company Limited, Beijing, China., Feng Y; Department of Biochemical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300350, China.; Frontiers Science Center for Synthetic Biology and Key Laboratory of Systems Bioengineering (Ministry of Education), Tianjin University, Tianjin 300072, China., Cao X; Frontiers Science Center for Synthetic Biology and Key Laboratory of Systems Bioengineering (Ministry of Education), Tianjin University, Tianjin 300072, China., Cao X; Frontiers Science Center for Synthetic Biology and Key Laboratory of Systems Bioengineering (Ministry of Education), Tianjin University, Tianjin 300072, China., Kang G; Department of Biochemical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300350, China.; Frontiers Science Center for Synthetic Biology and Key Laboratory of Systems Bioengineering (Ministry of Education), Tianjin University, Tianjin 300072, China.; Institute of Shaoxing, Tianjin University, Zhejiang 312300, China., de Marco A; Laboratory for Environmental and Life Sciences, University of Nova Gorica, Nova Gorica, Slovenia., Huang H; Department of Biochemical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300350, China.; Frontiers Science Center for Synthetic Biology and Key Laboratory of Systems Bioengineering (Ministry of Education), Tianjin University, Tianjin 300072, China.; Institute of Shaoxing, Tianjin University, Zhejiang 312300, China.

Publikováno v: Computational and structural biotechnology journal [Comput Struct Biotechnol J] 2022 Dec 16; Vol. 21, pp. 601-613. Date of Electronic Publication: 2022 Dec 16 (Print Publication: 2023).