DichroCalc: improvements in computing protein circular dichroism spectroscopy in the near-ultraviolet

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DichroCalc: improvements in computing protein circular dichroism spectroscopy in the near-ultraviolet

A fully quantitative theory connecting protein conformation and optical spectroscopy would facilitate deeper insights into biophysical and simulation studies of protein dynamics and folding. The web-server DichroCalc (http://comp.chem.nottingham.ac.uk/dichrocalc) allows one to compute from first pri...

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Bibliographic Details
Main Authors:	Jasim, Sarah B., Li, Zhou, Guest, Ellen E., Hirst, Jonathan D.
Format:	Article
Published:	Elsevier 2017
Subjects:	aromatic; vibronic; ab initio; electronic excited states; quantum
Online Access:	https://eprints.nottingham.ac.uk/48783/

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