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Cover Image, Volume 37, Issue 11
Publication year - 2016
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.24364
Subject(s) - resampling , cover (algebra) , fast fourier transform , computer science , subspace topology , citation , algorithm , computer graphics (images) , information retrieval , theoretical computer science , artificial intelligence , library science , mechanical engineering , engineering
The fast Fourier transform (FFT) algorithm enables extremely fast evaluation of energy functions. On page 961 (DOI: 10.1002/jcc.24273 ), Ioannis Ch. Paschalidis, Sandor Vajda, Dima Kozakov, and co‐workers apply this algorithm to protein‐protein docking, as well as to refine the results by focused resampling on the regions of interest using finer grids, in order to better explore protein interaction energy landscape. The cover image illustrates near‐native low energy translational subspace of protein‐protein interaction, obtained by focused FFT resampling around a near native complex model, given a single orientation of the ligand.