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Cover Image, Volume 34, Issue 1
Publication year - 2012
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.23195
Subject(s) - docking (animal) , cover (algebra) , computer science , citation , benchmark (surveying) , information retrieval , artificial intelligence , world wide web , cartography , geography , engineering , medicine , mechanical engineering , nursing
The cover image shows the docking performance of a newly developed docking program on a benchmark complex structure of 1hiv, as presented by Yu Liu, Lei Zhao, Wentao Li, Dongyu Zhao, Miao Song, and Yongliang Yang on page 67 . The search algorithm of FIPSDock is based on the fully informed particle swarm (FIPS) optimization technique. The benchmark complex structure of 1hiv contains a highly flexible peptide‐like inhibitor U‐75875 with 23 rotatable bonds and represents a challenging problem for flexible docking. FIPSDock could obtain a significant improvement over other docking methods in terms of ligand conformational sampling.