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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).