Molecular Dynamic Behavior and Binding Affinity of Flavonoid Analogues to the Cyclin Dependent Kinase 6/cyclin D Complex. - Wasinee Khuntawee; Thanyada Rungrotmongkol; Supot Hannongbua (J. Chem. Inf. Model., 2012)

Molecular Dynamics Simulations of the Interaction of Beta Cyclodextrin with a Lipid Bilayer. - Wasinee Khuntawee; Peter Wolschann; Thanyada Rungrotmongkol; Jirasak Wong-ekkabut; Supot Hannongbua (J. Chem. Inf. Model., 2015)

Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics. - Wasinee Khuntawee; Manaschai Kunaseth; Chompoonut Rungnim; Suradej Intagorn; Peter Wolschann; Nawee Kungwan; Thanyada Rungrotmongkol; Supot Hannongbua (J. Chem. Inf. Model., 2017)