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ECD Simulation Prediction
Poster Title: ECD Simulation Prediction
Submitted on 02 Jul 2021
Author(s): Lisa George
Poster Views: 168
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Poster Information
Abstract: ECD can describe the importance of vibration coupling and the influence of protein environmental static electricity on the electronic transition of chromophores for the CD signal in the near ultraviolet. The increase in the accuracy of calculation methods should allow more quantitative research to be applied to various interesting problems by combining experimental data and modeling.Summary: Electronic circular dichroism (CD) spectroscopy is an important tool for the elucidation of biomolecular structure. The calculation method used for prediction comes from the CD spectrum of the structure including ab initio quantum chemistry technology, time-varying density functional theory and exciton theory. References: abuse »
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