Recent developments in the biophysical characterization of proteins have provided a means of directly measuring electrostatic fields by introducing a probe molecule to the system of interest and interpreting photon absorption in the context of the Stark effect. To fully account for this effect, the development of accurate atomistic models is of paramount importance. We have been exploring the application of polarization techniques to improve the description of electrostatic in the active site of proteins. This work has relevance in the computation of electric fields to aid the interpretation of Stark shift spectra in protein probes.
https://gasconlab.org/wp-content/uploads/2023/02/research-figure2-1.jpg 720 1280 Academic Web Pages /wp-content/themes/awp-enfold/blank.png Academic Web Pages2023-02-05 15:12:162023-02-20 11:25:03Polarization Effects in Protein Electrostatics