Structure, Dynamics and Solvation of HIV-1 Protease/Saquinavir Complex in Aqueous Solution and Their Contributions to Drug Resistance: Molecular Dynamic Simulations. - Kitiyaporn Wittayanarakul; Ornjira Aruksakunwong; Pornthep Sompornpisut; Vannajan Sanghiran Lee; Vudhichai Parasuk; Surapong Pinitglang; Supot Hannongbua (J. Chem. Inf. Model., 2005)

Molecular Dynamic and Free Energy Studies of Primary Resistance Mutations in HIV-1 Protease-Ritonavir Complexes. - Ornjira Aruksakunwong; Peter Wolschann; Supot Hannongbua; Pornthep Sompornpisut (J. Chem. Inf. Model., 2006)

Why Amantadine Loses Its Function in Influenza M2 Mutants: MD Simulations. - Chittima Laohpongspaisan; Thanyada Rungrotmongkol; Pathumwadee Intharathep; Maturos Malaisree; Panita Decha; Ornjira Aruksakunwong; Pornthep Sompornpisut; Supot Hannongbua (J. Chem. Inf. Model., 2009)