Multi-Scaled Explorations of Binding-Induced Folding of Intrinsically Disordered Protein Inhibitor IA3 to its Target Enzyme. - Jin Wang; Yong Wang 056; Xiakun Chu; Stephen J. Hagen; Wei Han; Erkang Wang (PLoS Comput. Biol., 2011)

Importance of Electrostatic Interactions in the Association of Intrinsically Disordered Histone Chaperone Chz1 and Histone H2A.Z-H2B. - Xiakun Chu; Yong Wang 056; Linfeng Gan; Yawen Bai; Wei Han; Erkang Wang; Jin Wang (PLoS Comput. Biol., 2012)

Dynamic Conformational Change Regulates the Protein-DNA Recognition: An Investigation on Binding of a Y-Family Polymerase to Its Target DNA. - Xiakun Chu; Fei Liu; Brian A. Maxwell; Yong Wang; Zucai Suo; Haijun Wang; Wei Han; Jin Wang (PLoS Comput. Biol., 2014)

Specificity and Affinity Quantification of Flexible Recognition from Underlying Energy Landscape Topography. - Xiakun Chu; Jin Wang (PLoS Comput. Biol., 2014)

Deciphering the molecular mechanism of the cancer formation by chromosome structural dynamics. - Xiakun Chu; Jin Wang (PLoS Comput. Biol., 2021)

Unraveling the Interplay between Stability and Flexibility in the Design of Polyethylene Terephthalate (PET) Hydrolases. - Shiqinrui Xu; Chengze Huo; Xiakun Chu (J. Chem. Inf. Model., 2024)