Abstract
Fluorescent labeling of protein has been widely used in microbiology for detection and analysis. Molecular dynamics simulations provide vital supporting information for predictions and interpretations of experimental results. While force fields for proteins with regular amino acids are readily available, parameters for covalently attached fluorophores have to be incorporated into these force fields before they can be used for simulations. In this chapter, we shall discuss the methods to parameterize a fluorescent probe (fluorescein) attached to a cysteine, as a modified residue, for performing simulations with GROMACS.
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Chan, Z., Leung, YC. (2021). Simulation of Proteins Modified with a Fluorescent Label. In: Chen, Y.W., Yiu, CP.B. (eds) Structural Genomics. Methods in Molecular Biology, vol 2199. Humana, New York, NY. https://doi.org/10.1007/978-1-0716-0892-0_17
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DOI: https://doi.org/10.1007/978-1-0716-0892-0_17
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