1. Zhou P*, Zhang S, Wang C, Wang Y, Yang C, Huang J. Structural modeling of HLA-B*1502/peptide/carbamazepine/T-cell receptor complex architecture: implication for the molecular mechanism of carbamazepine-induced. Stevens-Johnson syndrome/toxic epidermal necrolysis. J. Biomol. Struct. Dyn. 2016, 34: 1806–1817.
2. Yang C, Zhang S, Bai Z, Hou S, Wu D, Huang J, Zhou P*. A two-step binding mechanism for the self-binding peptide recognition of target domains. Mol. BioSyst. 2016, 12: 1201–1213.
3. Yang C, Zhang S, He P, Wang C, Huang J, Zhou P*. Self-binding peptides: folding or binding? J. Chem. Inf. Model. 2015, 55: 329?342.
4. Yang C, Wang C, Zhang S, Huang J*, Zhou P*. Structural and energetic insights into the intermolecular interaction among human leukocyte antigens, clinical hypersensitive drugs and antigenic peptides. Mol. Simul. 2015, 41: 741?751.
5. Zhou P*, Wang C, Ren Y, Yang C, Tian F*. Computational peptidology: a new and promising approach to therapeutic peptide design. Curr. Med. Chem. 2013, 20: 1985?1996. (ESI highly cited paper)
6. Zhou P*, Yang C, Ren Y, Wang C, Tian F*. What are the ideal properties for functional food peptides with antihypertensive effect? A computational peptidology approach. Food Chem. 2013, 141: 2967?2973.
7. Zhou P*, Wang C, Tian F, Ren Y, Yang C, Huang J*. Biomacromolecular quantitative structure-activity relationship (BioQSAR): a proof-of-concept study on the modeling, prediction and interpretation of protein-protein binding affinity，J. Comput. Aid. Mol. Des. 2013, 27: 67?78.
8. Zhou P*, Huang J, Tian F*. Specific noncovalent interactions at protein–ligand interface: implications for rational drug design. Curr. Med. Chem. 2012, 19: 226?238.