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Cover Image, Volume 34, Issue 20
Publication year - 2013
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.23373
Subject(s) - cover (algebra) , computer science , ab initio , citation , image (mathematics) , algorithm , combinatorics , theoretical computer science , information retrieval , mathematics , artificial intelligence , library science , physics , quantum mechanics , mechanical engineering , engineering
The cover image shows predictions obtained by a computational optimization method called “multiobjective evolutionary algorithm with many tables” (MEAMT), an approach by Christiane Brasil et al. on page 1719 that can predict relevant protein structures in a purely ab initio way, considering four energy terms. The ability to handle many simultaneous objectives enables MEAMT to efficiently use the solvation energy and hydrogen bond interaction terms, which is essential to predict beta‐sheet structures by a purely ab initio strategy. The predictions (in pink) appear aligned with their corresponding native structures (in cyan), such as gelsolin (1SOL, alpha‐helix), 12‐residues beta hairpin HP7 molecule (2EVQ, beta‐sheet), and granulin A (1G26, beta‐sheet).