Supot Hannongbua

According to our database, Supot Hannongbua authored at least 14 papers between 2005 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2024

Machine learning-guided design of potent darunavir analogs targeting HIV-1 proteases: A computational approach for antiretroviral drug discovery.

Hathaichanok Chuntakaruk, Kajjana Boonpalit, Jiramet Kinchagawat, Fahsai Nakarin, Tanatorn Khotavivattana, Chanat Aonbangkhen, Yasuteru Shigeta, Kowit Hengphasatporn, Sarana Nutanong, Thanyada Rungrotmongkol, Supot Hannongbua

J. Comput. Chem., May, 2024

2022

Halogenated Baicalein as a Promising Antiviral Agent toward SARS-CoV-2 Main Protease.

Kowit Hengphasatporn, Patcharin Wilasluck, Peerapon Deetanya, Kittikhun Wangkanont, Warinthorn Chavasiri, Peerapat Visitchanakun, Asada Leelahavanichkul, Wattamon Paunrat, Siwaporn Boonyasuppayakorn, Thanyada Rungrotmongkol, Supot Hannongbua, Yasuteru Shigeta

J. Chem. Inf. Model., 2022

2017

Comparison of Implicit and Explicit Solvation Models for <i>Iota</i>-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

2016

Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA study.

Jiraphorn Phanich, Thanyada Rungrotmongkol, Nawee Kungwan, Supot Hannongbua

J. Comput. Aided Mol. Des., 2016

2015

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

2014

Key Binding and Susceptibility of NS3/4A Serine Protease Inhibitors against Hepatitis C Virus.

Arthitaya Meeprasert, Supot Hannongbua, Thanyada Rungrotmongkol

J. Chem. Inf. Model., 2014

2013

Effect of Halogen Substitutions on dUMP to Stability of Thymidylate Synthase/dUMP/mTHF Ternary Complex Using Molecular Dynamics Simulation.

Nopporn Kaiyawet, Thanyada Rungrotmongkol, Supot Hannongbua

J. Chem. Inf. Model., 2013

2012

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

2010

Evolution of Human Receptor Binding Affinity of H1N1 Hemagglutinins from 1918 to 2009 Pandemic Influenza A Virus.

Nadtanet Nunthaboot, Thanyada Rungrotmongkol, Maturos Malaisree, Nopporn Kaiyawet, Panita Decha, Pornthep Sompornpisut, Yong Poovorawan, Supot Hannongbua

J. Chem. Inf. Model., 2010

2009

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

2008

Accurate prediction of protonation state as a prerequisite for reliable MM-PB(GB)SA binding free energy calculations of HIV-1 protease inhibitors.

Kitiyaporn Wittayanarakul, Supot Hannongbua, Michael Feig

J. Comput. Chem., 2008

2007

On the correlation between drug-resistant pattern of HIV-1 protease inhibitors and binding free energy and structural changes.

Kitiyaporn Wittayanarakul, Supot Hannongbua, Michael Feig

BMC Syst. Biol., 2007

2006

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

2005

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