In silico predication of nuclear hormone receptors for organic pollutants by homology modeling and molecular docking.
Wu B, Zhang Y, Kong J, Zhang X, Cheng S, Toxicol Lett, 2009 Dec 1 - link

Comparative docking study of anibamine as the first natural product CCR5 antagonist in CCR5 homology models.
Li G, Haney KM, Kellogg GE, Zhang Y, J Chem Inf Model, 2009 Jan - link

Monte Carlo refinement of rigid-body protein docking structures with backbone displacement and side-chain optimization.
Lorenzen S, Zhang Y, Protein Sci, 2007 Dec - link

Identification of near-native structures by clustering protein docking conformations.
Lorenzen S, Zhang Y, Proteins, 2007 Jul 1 - link

On the human CYP2C9*13 variant activity reduction: a molecular dynamics simulation and docking study.
Zhou YH, Zheng QC, Li ZS, Zhang Y, Sun M, Sun CC, Si D, Cai L, Guo Y, Zhou H, Biochimie, 2006 Oct - link

Molecular docking of balanol to dynamics snapshots of protein kinase A.
Wong CF, Kua J, Zhang Y, Straatsma TP, McCammon JA, Proteins, 2005 Dec 1 - link

A molecular docking model of SARS-CoV S1 protein in complex with its receptor, human ACE2.
Zhang Y, Zheng N, Hao P, Cao Y, Zhong Y, Comput Biol Chem, 2005 Jun - link

Homology modeling and docking study of cyclin-dependent kinase (CDK) 10.
Sun M, Li Z, Zhang Y, Zheng Q, Sun CC, Bioorg Med Chem Lett, 2005 Jun 2 - link

Studying the roles of W86, E202, and Y337 in binding of acetylcholine to acetylcholinesterase using a combined molecular dynamics and multiple docking approach.
Kua J, Zhang Y, Eslami AC, Butler JR, McCammon JA, Protein Sci, 2003 Dec - link

Studying enzyme binding specificity in acetylcholinesterase using a combined molecular dynamics and multiple docking approach.
Kua J, Zhang Y, McCammon JA, J Am Chem Soc, 2002 Jul 17 - link