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ORCIDSupot Hannongbua
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2020 – today
- 2024
[j14]Hathaichanok Chuntakaruk
, Kajjana Boonpalit, Jiramet Kinchagawat, Fahsai Nakarin, Tanatorn Khotavivattana, Chanat Aonbangkhen, Yasuteru Shigeta, Kowit Hengphasatporn, Sarana Nutanong, Thanyada Rungrotmongkol, Supot Hannongbua:
Machine learning-guided design of potent darunavir analogs targeting HIV-1 proteases: A computational approach for antiretroviral drug discovery. J. Comput. Chem. 45(13): 953-968 (2024)- 2022
- [j13]Kowit Hengphasatporn, Patcharin Wilasluck, Peerapon Deetanya, Kittikhun Wangkanont, Warinthorn Chavasiri, Peerapat Visitchanakun, Asada Leelahavanichkul, Wattamon Paunrat, Siwaporn Boonyasuppayakorn, Thanyada Rungrotmongkol, Supot Hannongbua, Yasuteru Shigeta:
Halogenated Baicalein as a Promising Antiviral Agent toward SARS-CoV-2 Main Protease. J. Chem. Inf. Model. 62(6): 1498-1509 (2022)
2010 – 2019
- 2017
- [j12]Wasinee Khuntawee, Manaschai Kunaseth, Chompoonut Rungnim, Suradej Intagorn, Peter Wolschann, Nawee Kungwan, Thanyada Rungrotmongkol, Supot Hannongbua:
Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics. J. Chem. Inf. Model. 57(4): 778-786 (2017) - 2016
- [j11]Jiraphorn Phanich, Thanyada Rungrotmongkol, Nawee Kungwan, Supot Hannongbua:
Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA study. J. Comput. Aided Mol. Des. 30(10): 917-926 (2016) - 2015
- [j10]Wasinee Khuntawee, Peter Wolschann, Thanyada Rungrotmongkol, Jirasak Wong-ekkabut, Supot Hannongbua:
Molecular Dynamics Simulations of the Interaction of Beta Cyclodextrin with a Lipid Bilayer. J. Chem. Inf. Model. 55(9): 1894-1902 (2015) - 2014
- [j9]Arthitaya Meeprasert, Supot Hannongbua, Thanyada Rungrotmongkol:
Key Binding and Susceptibility of NS3/4A Serine Protease Inhibitors against Hepatitis C Virus. J. Chem. Inf. Model. 54(4): 1208-1217 (2014) - 2013
- [j8]Nopporn Kaiyawet, Thanyada Rungrotmongkol, Supot Hannongbua:
Effect of Halogen Substitutions on dUMP to Stability of Thymidylate Synthase/dUMP/mTHF Ternary Complex Using Molecular Dynamics Simulation. J. Chem. Inf. Model. 53(6): 1315-1323 (2013) - 2012
- [j7]Wasinee Khuntawee, Thanyada Rungrotmongkol, Supot Hannongbua:
Molecular Dynamic Behavior and Binding Affinity of Flavonoid Analogues to the Cyclin Dependent Kinase 6/cyclin D Complex. J. Chem. Inf. Model. 52(1): 76-83 (2012) - 2010
- [j6]Nadtanet Nunthaboot, Thanyada Rungrotmongkol, Maturos Malaisree, Nopporn Kaiyawet, Panita Decha, Pornthep Sompornpisut, Yong Poovorawan, Supot Hannongbua:
Evolution of Human Receptor Binding Affinity of H1N1 Hemagglutinins from 1918 to 2009 Pandemic Influenza A Virus. J. Chem. Inf. Model. 50(8): 1410-1417 (2010)
2000 – 2009
- 2009
- [j5]Chittima Laohpongspaisan, Thanyada Rungrotmongkol, Pathumwadee Intharathep, Maturos Malaisree, Panita Decha, Ornjira Aruksakunwong, Pornthep Sompornpisut, Supot Hannongbua:
Why Amantadine Loses Its Function in Influenza M2 Mutants: MD Simulations. J. Chem. Inf. Model. 49(4): 847-852 (2009) - 2008
- [j4]Kitiyaporn Wittayanarakul, Supot Hannongbua, Michael Feig:
Accurate prediction of protonation state as a prerequisite for reliable MM-PB(GB)SA binding free energy calculations of HIV-1 protease inhibitors. J. Comput. Chem. 29(5): 673-685 (2008) - 2007
- [j3]Kitiyaporn Wittayanarakul, Supot Hannongbua, Michael Feig:
On the correlation between drug-resistant pattern of HIV-1 protease inhibitors and binding free energy and structural changes. BMC Syst. Biol. 1(S-1): P58 (2007) - 2006
- [j2]Ornjira Aruksakunwong, Peter Wolschann, Supot Hannongbua, Pornthep Sompornpisut:
Molecular Dynamic and Free Energy Studies of Primary Resistance Mutations in HIV-1 Protease-Ritonavir Complexes. J. Chem. Inf. Model. 46(5): 2085-2092 (2006) - 2005
- [j1]Kitiyaporn Wittayanarakul, Ornjira Aruksakunwong, Pornthep Sompornpisut, Vannajan Sanghiran Lee, Vudhichai Parasuk, Surapong Pinitglang, Supot Hannongbua:
Structure, Dynamics and Solvation of HIV-1 Protease/Saquinavir Complex in Aqueous Solution and Their Contributions to Drug Resistance: Molecular Dynamic Simulations. J. Chem. Inf. Model. 45(2): 300-308 (2005)
Coauthor Index
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