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Cover Image, Volume 39, Issue 21
Publication year - 2018
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.25526
Subject(s) - cover (algebra) , computer science , volume (thermodynamics) , citation , section (typography) , software , information retrieval , computer graphics (images) , theoretical computer science , library science , physics , programming language , engineering , quantum mechanics , operating system , mechanical engineering
Ion Mobility Mass Spectrometry is becoming an increasingly helpful tool for characterizing the structure and conformational properties of biomacromolecules, but obtaining the desired structural information is challenging and relies heavily on theoretical calculations of the molecule's collision cross section (CCS). On page 1675, Leandro Zanotto and colleagues present the High‐Performance Collision Cross Section (HPCCS), a new software based on the Trajectory Method for computing molecular CCS, which allows for fast and accurate CCS calculations for different types of molecular ions, ranging from small organic compounds to large protein assemblies. (DOI: 10.1002/jcc.25199 )