Supot Hannongbua

15 papers Journal 15
YearRankTypeTitle / Venue / Authors
2025 J jnl
Pre-training strategy for antiviral drug screening with low-data graph neural network: A case study in HIV-1 K103N reverse transcriptase.
J. Comput. Chem.
Kajjana Boonpalit, Hathaichanok Chuntakaruk, Jiramet Kinchagawat, Peter Wolschann, Supot Hannongbua, Thanyada Rungrotmongkol, Sarana Nutanong
2024 J jnl
Machine learning-guided design of potent darunavir analogs targeting HIV-1 proteases: A computational approach for antiretroviral drug discovery.
J. Comput. Chem.
Hathaichanok Chuntakaruk, Kajjana Boonpalit, Jiramet Kinchagawat, Fahsai Nakarin, Tanatorn Khotavivattana, Chanat Aonbangkhen, Yasuteru Shigeta, Kowit Hengphasatporn, Sarana Nutanong, Thanyada Rungrotmongkol, Supot Hannongbua
2022 J jnl
Halogenated Baicalein as a Promising Antiviral Agent toward SARS-CoV-2 Main Protease.
J. Chem. Inf. Model.
Kowit Hengphasatporn, Patcharin Wilasluck, Peerapon Deetanya, Kittikhun Wangkanont, Warinthorn Chavasiri, Peerapat Visitchanakun, Asada Leelahavanichkul, Wattamon Paunrat, Siwaporn Boonyasuppayakorn, Thanyada Rungrotmongkol, Supot Hannongbua, Yasuteru Shigeta
2017 J jnl
Comparison of Implicit and Explicit Solvation Models for
J. Chem. Inf. Model.
Wasinee Khuntawee, Manaschai Kunaseth, Chompoonut Rungnim, Suradej Intagorn, Peter Wolschann, Nawee Kungwan, Thanyada Rungrotmongkol, Supot Hannongbua
2016 J jnl
Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA study.
J. Comput. Aided Mol. Des.
Jiraphorn Phanich, Thanyada Rungrotmongkol, Nawee Kungwan, Supot Hannongbua
2015 J jnl
Molecular Dynamics Simulations of the Interaction of Beta Cyclodextrin with a Lipid Bilayer.
J. Chem. Inf. Model.
Wasinee Khuntawee, Peter Wolschann, Thanyada Rungrotmongkol, Jirasak Wong-ekkabut, Supot Hannongbua
2014 J jnl
Key Binding and Susceptibility of NS3/4A Serine Protease Inhibitors against Hepatitis C Virus.
J. Chem. Inf. Model.
Arthitaya Meeprasert, Supot Hannongbua, Thanyada Rungrotmongkol
2013 J jnl
Effect of Halogen Substitutions on dUMP to Stability of Thymidylate Synthase/dUMP/mTHF Ternary Complex Using Molecular Dynamics Simulation.
J. Chem. Inf. Model.
Nopporn Kaiyawet, Thanyada Rungrotmongkol, Supot Hannongbua
2012 J jnl
Molecular Dynamic Behavior and Binding Affinity of Flavonoid Analogues to the Cyclin Dependent Kinase 6/cyclin D Complex.
J. Chem. Inf. Model.
Wasinee Khuntawee, Thanyada Rungrotmongkol, Supot Hannongbua
2010 J jnl
Evolution of Human Receptor Binding Affinity of H1N1 Hemagglutinins from 1918 to 2009 Pandemic Influenza A Virus.
J. Chem. Inf. Model.
Nadtanet Nunthaboot, Thanyada Rungrotmongkol, Maturos Malaisree, Nopporn Kaiyawet, Panita Decha, Pornthep Sompornpisut, Yong Poovorawan, Supot Hannongbua
2009 J jnl
Why Amantadine Loses Its Function in Influenza M2 Mutants: MD Simulations.
J. Chem. Inf. Model.
Chittima Laohpongspaisan, Thanyada Rungrotmongkol, Pathumwadee Intharathep, Maturos Malaisree, Panita Decha, Ornjira Aruksakunwong, Pornthep Sompornpisut, Supot Hannongbua
2008 J jnl
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.
Kitiyaporn Wittayanarakul, Supot Hannongbua, Michael Feig
2007 J jnl
On the correlation between drug-resistant pattern of HIV-1 protease inhibitors and binding free energy and structural changes.
BMC Syst. Biol.
Kitiyaporn Wittayanarakul, Supot Hannongbua, Michael Feig
2006 J jnl
Molecular Dynamic and Free Energy Studies of Primary Resistance Mutations in HIV-1 Protease-Ritonavir Complexes.
J. Chem. Inf. Model.
Ornjira Aruksakunwong, Peter Wolschann, Supot Hannongbua, Pornthep Sompornpisut
2005 J jnl
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.
Kitiyaporn Wittayanarakul, Ornjira Aruksakunwong, Pornthep Sompornpisut, Vannajan Sanghiran Lee, Vudhichai Parasuk, Surapong Pinitglang, Supot Hannongbua