A 500-ps molecular dynamics simulation trajectory of cardiotoxin II from Taiwan cobra venom in solution: Correlation with NMR and X-ray crystallography data. - Ying-Chieh Sun; Shu-Fen Yang; I-Lung Hwang; Tzu-Hsien Wu (J. Comput. Chem., 1999)

Computation of relative binding free energy for an inhibitor and its analogs binding with Erk kinase using thermodynamic integration MD simulation. - Kuan-Wei Wu; Po-Chin Chen; Jun Wang 053; Ying-Chieh Sun (J. Comput. Aided Mol. Des., 2012)