Supa Hannongbua - researchr alias

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Viewing Publication 1 - 19 from 19

2024

2023

2022

2020

2019

Shift/collapse on neighbor list (SC-NBL): Fast evaluation of dynamic many-body potentials in molecular dynamics simulationsManaschai Kunaseth, Supa Hannongbua, Aiichiro Nakano. cphysics, 235:88-94, 2019. [doi]

Simulations of Shikimate Dehydrogenase from Mycobacterium tuberculosis in Complex with 3-Dehydroshikimate and NADPH Suggest Strategies for MtbSDH InhibitionAuradee Punkvang, Pharit Kamsri, Adrian J. Mulholland, James Spencer, Supa Hannongbua, Pornpan Pungpo. jcisd, 59(4):1422-1433, 2019. [doi]

2016

Rapid activity prediction of HIV-1 integrase inhibitors: harnessing docking energetic components for empirical scoring by chemometric and artificial neural network approachesPatcharapong Thangsunan, Sila Kittiwachana, Puttinan Meepowpan, Nawee Kungwan, Panchika Prangkio, Supa Hannongbua, Nuttee Suree. jcamd, 30(6):471-488, 2016. [doi]

2010

Excited state properties, fluorescence energies, and lifetimes of a poly(fluorene-phenylene), based on TD-DFT investigationRungtiwa Chidthong, Supa Hannongbua. jcc, 31(7):1450-1457, 2010. [doi]

Investigation of excited-state properties of fluorene-thiophene oligomers by the SAC-CI theoretical approachPotjaman Poolmee, Supa Hannongbua. jcc, 31(10):1945-1955, 2010. [doi]

2009

Interactions between cycloguanil derivatives and wild type and resistance-associated mutant ::::Plasmodium falciparum:::: dihydrofolate reductasesPhornphimon Maitarad, Sumalee Kamchonwongpaisan, Jarunee Vanichtanankul, Tirayut Vilaivan, Yongyuth Yuthavong, Supa Hannongbua. jcamd, 23(4):241-252, 2009. [doi]

3D Pharmacophore Mapping Using 4D QSAR Analysis for the Cytotoxicity of Lamellarins Against Human Hormone-Dependent T47D Breast Cancer CellsPoonsiri Thipnate, Jianzhong Liu, Supa Hannongbua, Anton J. Hopfinger. jcisd, 49(10):2312-2322, 2009. [doi]

2007

Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigationRungtiwa Chidthong, Supa Hannongbua, Adélia J. A. Aquino, Peter Wolschann, Hans Lischka. jcc, 28(10):1735-1742, 2007. [doi]

2003

Investigation on an Orientation and Interaction Energy of the Water Molecule in the HIV-1 Reverse Transcriptase Active Site by Quantum Chemical CalculationsMayuso Kuno, Rungtiva Palangsuntikul, Supa Hannongbua. jcisd, 43(5):1584-1590, 2003. [doi]

Structural Flexibility of Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitor: 9-Cl ::::TIBO:::: as Explained by Potential Energy Surface and :::13:::C and :::1:::H NMR Calculations, Based on ::::ab initio:::: and Density Functional StudySuwipa Saen-oon, Supa Hannongbua, Peter Wolschann. jcisd, 43(5):1412-1422, 2003. [doi]

2001

Conformational analysis of nevirapine, a non-nucleoside HIV-1 reverse transcriptase inhibitor, based on quantum mechanical calculationsSupa Hannongbua, Sirikanok Prasithichokekul, Pornpan Pungpo. jcamd, 15(11):997-1004, 2001. [doi]

3D-Quantitative Structure-Activity Relationships of HEPT Derivatives as HIV-1 Reverse Transcriptase Inhibitors, Based on Ab Initio CalculationsSupa Hannongbua, Kanda Nivesanond, Luckhana Lawtrakul, Pornpan Pungpo, Peter Wolschann. jcisd, 41(3):848-855, 2001. [doi]

1999

Quantitative structure-activity relationships and comparative molecular field analysis of TIBO derivatised HIV-1 reverse transcriptase inhibitorsSupa Hannongbua, Pornpan Pungpo, Jumras Limtrakul, Peter Wolschann. jcamd, 13(6):563-577, 1999. [doi]

1996

Structure-activity correlation study of HIV-1 inhibitors: Electronic and molecular parametersSupa Hannongbua, Luckhana Lawtrakul, Jumras Limtrakul. jcamd, 10(2):145-152, 1996.

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