333 citations · 833 across the 12 of their papers we have counts for
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physics.chem-ph2015★ 1 cited
Inferential protein structure determination and refinement using fast, electronic structure based backbone amide chemical shift predictions
Anders S. Christensen
This report covers the development of a new, fast method for calculating the backbone amide proton chemical shifts in proteins. Through quantum chemical calculations, structure-bas…
physics.chem-ph2015★ 58 cited
Improving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalization
Anders S. Christensen, Marcus Elstner, Qiang Cui
Semi-empirical quantum mechanical methods traditionally expand the electron density in a minimal, valence-only electron basis set. The minimal-basis approximation causes molecular…