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Cover Image, Volume 36, Issue 15
Publication year - 2015
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.23940
Subject(s) - cover (algebra) , computer science , docking (animal) , dock , citation , information retrieval , artificial intelligence , library science , chemistry , engineering , mechanical engineering , medicine , biochemistry , nursing
The inaugural molecular docking program DOCK has a long history of new advances and accomplishments in the field of structure‐based design. On page 1132 (DOI: 10.1002/jcc.23905 ), William Allen, Trent Balius, Sudipto Mukherjee, Scott Brozell, Demetri Moustakas, Therese Lang, David Case, Irwin Kuntz, and Robert Rizzo report and evaluate the latest algorithmic and methodological developments for the program using experiments that include pose reproduction, cross‐docking, and database enrichment. The cover art shows family‐based receptor alignments, heatmaps for cross‐docking outcomes, and examples of docked results which account for symmetry‐corrected RMSD.