Thanyada Rungrotmongkol

Publication Activity (10 Years)

Years Active: 2009-2024
Publications (10 Years): 15

Top Topics

Hepatitis C Virus

Molecular Dynamics

Machine Learning

Scientific Data

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Comput. Biol. Chem.

J. Comput. Chem.

Publications

Bundit Boonyarit, Nattawin Yamprasert, Pawit Kaewnuratchadasorn, Jiramet Kinchagawat, Chanatkran Prommin, Thanyada Rungrotmongkol, Sarana Nutanong
GraphEGFR: Multi-task and transfer learning based on molecular graph attention mechanism and fingerprints improving inhibitor bioactivity prediction for EGFR family proteins on data scarcity. J. Comput. Chem. 45 (23, September) (2024)
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) (2024)
Saba Ali, Aamir Aman, Kowit Hengphasatporn, Lipika Oopkaew, Bunyaporn Todee, Ryo Fujiki, Ryuhei Harada, Yasuteru Shigeta, Kuakarun Krusong, Kiattawee Choowongkomon, Warinthorn Chavasiri, Peter Wolschann, Panupong Mahalapbutr, Thanyada Rungrotmongkol
Evaluating solubility, stability, and inclusion complexation of oxyresveratrol with various β-cyclodextrin derivatives using advanced computational techniques and experimental validation. Comput. Biol. Chem. 112 (2024)
Chonnikan Hanpaibool, Puey Ounjai, Sirilata Yotphan, Adrian J. Mulholland, James Spencer, Natharin Ngamwongsatit, Thanyada Rungrotmongkol
Enhancement by pyrazolones of colistin efficacy against mcr-1-expressing E. coli: an in silico and in vitro investigation. J. Comput. Aided Mol. Des. 37 (10) (2023)
Grittin Phengsakun, Bundit Boonyarit, Thanyada Rungrotmongkol, Wipa Suginta
-N-acetylglucosaminidase: Classical and machine learning scoring functions, and molecular dynamics simulations. Comput. Biol. Chem. 104 (2023)
Piyatida Pojtanadithee, Kowit Hengphasatporn, Aphinya Suroengrit, Siwaporn Boonyasuppayakorn, Patcharin Wilasluck, Peerapon Deetanya, Kittikhun Wangkanont, I. Putu Sukanadi, Warinthorn Chavasiri, Peter Wolschann, Thierry Langer, Yasuteru Shigeta, Phornphimon Maitarad, Kamonpan Sanachai, Thanyada Rungrotmongkol
through Structure-Based Virtual Screening and Experimental Approaches. J. Chem. Inf. Model. 63 (16) (2023)
Duangjai Todsaporn, Panupong Mahalapbutr, Rungtiva P. Poo-arporn, Kiattawee Choowongkomon, Thanyada Rungrotmongkol
Structural dynamics and kinase inhibitory activity of three generations of tyrosine kinase inhibitors against wild-type, L858R/T790M, and L858R/T790M/C797S forms of EGFR. Comput. Biol. Medicine 147 (2022)
Thitiya Boonma, Nattharuja Soikudrua, Bodee Nutho, Thanyada Rungrotmongkol, Nadtanet Nunthaboot
Insights into binding molecular mechanism of hemagglutinin H3N2 of influenza virus complexed with arbidol and its derivative: A molecular dynamics simulation perspective. Comput. Biol. Chem. 101 (2022)
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) (2022)
Wansiri Innok, Asadhawut Hiranrat, Netnapa Chana, Thanyada Rungrotmongkol, Panita Kongsune
In silico and in vitro anti-AChE activity investigations of constituents from Mytragyna speciosa for Alzheimer's disease treatment. J. Comput. Aided Mol. Des. 35 (3) (2021)
Chonnikan Hanpaibool, Matina Leelawiwat, Kaito Takahashi, Thanyada Rungrotmongkol
Source of oseltamivir resistance due to single E119D and double E119D/H274Y mutations in pdm09H1N1 influenza neuraminidase. J. Comput. Aided Mol. Des. 34 (1) (2020)
Thitiya Boonma, Bodee Nutho, Thanyada Rungrotmongkol, Nadtanet Nunthaboot
Understanding of the drug resistance mechanism of hepatitis C virus NS3/4A to paritaprevir due to D168N/Y mutations: A molecular dynamics simulation perspective. Comput. Biol. Chem. 83 (2019)
Jintawee Kicuntod, Kanyani Sangpheak, Monika Müller, Peter Wolschann, Helmut Viernstein, Saeko Yanaka, Koichi Kato, Warinthorn Chavasiri, Piamsook Pongsawasdi, Nawee Kungwan, Thanyada Rungrotmongkol
Theoretical and Experimental Studies on Inclusion Complexes of Pinostrobin and β-Cyclodextrins. Sensors 18 (2) (2018)
Wasinee Khuntawee, Manaschai Kunaseth, Chompoonut Rungnim, Suradej Intagorn, Peter Wolschann, Nawee Kungwan, Thanyada Rungrotmongkol, Supot Hannongbua
-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics. J. Chem. Inf. Model. 57 (4) (2017)
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) (2016)
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) (2015)
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) (2014)
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) (2013)
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) (2012)
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) (2010)
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) (2009)
Thanyarat Udommaneethanakit, Thanyada Rungrotmongkol, Urban Bren, Vladimir Frecer, Stanislav Miertus
Dynamic Behavior of Avian Influenza A Virus Neuraminidase Subtype H5N1 in Complex with Oseltamivir, Zanamivir, Peramivir, and Their Phosphonate Analogues. J. Chem. Inf. Model. 49 (10) (2009)