Inside Cover, Volume 34, Issue 20


Abstract

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The cover image depicts peptides travelling through an ion mobility spectrometry (IMS) drift tube. Species separation is based on their mobility on a carrier gas, from where the collision cross section area (CCS) is determined. Using a novel molecular dynamics protocol by Ranieri de Carvalho et al. on page 1707, the conformational-weighted CCS of a given peptide is predicted with high efficiency, as measured from IMS/mass spectrometry (MS) experiments. Compactness is chosen as a folding metric instead of potential energy since entropic contributions to the free energy may play a role in peptide dynamics. Hosted in a webserver, IMSPeptider can be used for global profiling of peptides.

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