Statistical Analysis of Nanobody Sequences and Structures with Molecular Dynamics Simulation of Nanobody VHH
DOI:
https://doi.org/10.61173/bza22v34Keywords:
nanobody, protein modelling, molecular dy-namics, sequence analysisAbstract
Nanobodies, also known as single-domain antibodies, are an area of study due to their unique structure and small size. These antibodies, derived from camelids, consist only of heavy-chain domains, making them an excellent candidate for various therapeutic and diagnostic applications. This paper presents a statistical analysis of nanobody sequences and structures from existing databases and utilizes molecular dynamics (MD) simulation to model and assess the stability of a SARS-CoV-1 cross-reactive nanobody (6waq). By analyzing key metrics such as Root-Mean-Square Deviation (RMSD) and Root-Mean-Square Fluctuation (RMSF), this study provides insights into nanobody structural dynamics and potential optimizations for therapeutic use.
References
[1] Hamers-Casterman, C. et al. (1993). Naturally occurring antibodies devoid of light chains. Nature.
[2] Muyldermans, S. (2001). Single domain camel antibodies: current status. Journal of Biotechnology.
[3] Kapila, C. et al. (2016). Molecular dynamics simulation of nanobodies. Journal of Computational Chemistry.
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