Cover Image, Volume 34, Issue 1


original image

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.