Phage display screening against a set of targets to establish peptide-based sugar mimetics and molecular docking to predict binding site.
Yu L, Yu PS, Yee Yen Mui E, McKelvie JC, Pham TP, Yap YW, Wong WQ, Wu J, Deng W, Orner BP, Bioorg Med Chem, 2009 Jul 1 - link

Evaluation of different virtual screening programs for docking in a charged binding pocket.
Deng W, Verlinde CL, J Chem Inf Model, 2008 Oct - link