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)

A computational analysis of SARS cysteine proteinase-octapeptide substrate interaction: implication for structure and active site binding mechanism. - Krongsakda Phakthanakanok; Khanok Ratanakhanokchai; Khin Lay Kyu; Pornthep Sompornpisut; Aaron Watts; Surapong Pinitglang (BMC Bioinform., 2009)

Structural Bioinformatics and Molecular Dynamics Simulations Studies of Cathepsins as a Potential Target for Drug Discovery. - Surapong Pinitglang; Ratchanee Saiprajong; Tossaporn Dussadee; Khanok Ratanakhanokchai (CSBio, 2012)