Browsing by Subject "computational chemistry"
Now showing items 1-2 of 2
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Identification and Scoring of Partial Covalent Interactions in Proteins and Protein Ligand Complexes (2013-12-16)Department: ChemistryPartial covalent interactions (PCI) such as hydrogen bonds, salt bridges, cation-π, and π-π interactions contribute to protein thermostability. Algorithms that identify PCIs rely on pairwise atom-atom angles and distances, ...
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(2015-05-22)Department: ChemistryStructural ion mobility-mass spectrometry (IM-MS) is often paired with computational conformational space studies to provide more insight into the experimental measurements. From the IM-MS or gas phase electrophoresis ...