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Thanyada Rungrotmongkol
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2020 – today
- 2025
- [j26]Kamonpan Sanachai
, Kowit Hengphasatporn
Exploring mimosamycin as a Janus kinase 2 inhibitor: A combined computational and experimental investigation. Comput. Biol. Chem. 115: 108346 (2025) - [j25]Kajjana Boonpalit
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. 46(1) (2025) - [j24]Lipika Oopkaew, Yuwanda Injongkol
Theoretical investigation of structure and electronic properties in Cisplatin-citrate complexes. J. Comput. Chem. 46(1) (2025) - [j23]Ayokanmi Joseph Aremu, Phiphob Naweephattana, Ismail Dwi Putra
Rational Design for Antioxidant Diphenylamine Derivatives Using Quantitative Structure-Activity Relationships and Quantum Mechanics Calculations. J. Comput. Chem. 46(4) (2025) - 2024
- [j22]Saba Ali, Aamir Aman, Kowit Hengphasatporn
Evaluating solubility, stability, and inclusion complexation of oxyresveratrol with various β-cyclodextrin derivatives using advanced computational techniques and experimental validation. Comput. Biol. Chem. 112: 108111 (2024) - [j21]Hathaichanok Chuntakaruk
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) - [j20]Bundit Boonyarit
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): 2001-2023 (2024) - 2023
- [j19]Grittin Phengsakun, Bundit Boonyarit
Structure-based virtual screening for potent inhibitors of GH-20 β-N-acetylglucosaminidase: Classical and machine learning scoring functions, and molecular dynamics simulations. Comput. Biol. Chem. 104: 107856 (2023) - [j18]Chonnikan Hanpaibool, Puey Ounjai
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): 479-489 (2023) - [j17]Piyatida Pojtanadithee, Kowit Hengphasatporn
Identification of Promising Sulfonamide Chalcones as Inhibitors of SARS-CoV-2 3CLpro through Structure-Based Virtual Screening and Experimental Approaches. J. Chem. Inf. Model. 63(16): 5244-5258 (2023) - 2022
- [j16]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: 107764 (2022) - [j15]Duangjai Todsaporn, Panupong Mahalapbutr
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: 105787 (2022) - [j14]Kowit Hengphasatporn
Halogenated Baicalein as a Promising Antiviral Agent toward SARS-CoV-2 Main Protease. J. Chem. Inf. Model. 62(6): 1498-1509 (2022) - 2021
- [j13]Wansiri Innok, Asadhawut Hiranrat, Netnapa Chana
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): 325-336 (2021) - 2020
- [j12]Chonnikan Hanpaibool, Matina Leelawiwat, Kaito Takahashi
Source of oseltamivir resistance due to single E119D and double E119D/H274Y mutations in pdm09H1N1 influenza neuraminidase. J. Comput. Aided Mol. Des. 34(1): 27-37 (2020)
2010 – 2019
- 2019
- [j11]Thitiya Boonma, Bodee Nutho
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) - 2018
- [j10]Jintawee Kicuntod, Kanyani Sangpheak, Monika Müller, Peter Wolschann, Helmut Viernstein, Saeko Yanaka
Theoretical and Experimental Studies on Inclusion Complexes of Pinostrobin and β-Cyclodextrins. Sensors 18(2): 392 (2018) - 2017
- [j9]Wasinee Khuntawee, Manaschai Kunaseth
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
- [j8]Jiraphorn Phanich, Thanyada Rungrotmongkol, Nawee Kungwan
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
- [j7]Wasinee Khuntawee, Peter Wolschann, Thanyada Rungrotmongkol, Jirasak Wong-ekkabut
Molecular Dynamics Simulations of the Interaction of Beta Cyclodextrin with a Lipid Bilayer. J. Chem. Inf. Model. 55(9): 1894-1902 (2015) - 2014
- [j6]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
- [j5]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
- [j4]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
- [j3]Nadtanet Nunthaboot, Thanyada Rungrotmongkol, Maturos Malaisree, Nopporn Kaiyawet, Panita Decha, Pornthep Sompornpisut, Yong Poovorawan
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
- [j2]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) - [j1]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): 2323-2332 (2009)
Coauthor Index
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last updated on 2025-04-03 00:21 CEST by the dblp team
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