Supa Hannongbua

Orcid: 0000-0002-9901-4466

According to our database1, Supa Hannongbua authored at least 19 papers between 1996 and 2024.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

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Bibliography

2024
Ligand-Based Virtual Screening for Discovery of Indole Derivatives as Potent DNA Gyrase ATPase Inhibitors Active against <i>Mycobacterium tuberculosis</i> and Hit Validation by Biological Assays.
J. Chem. Inf. Model., 2024

2023
Bioisosteric Design Identifies Inhibitors of <i>Mycobacterium tuberculosis</i> DNA Gyrase ATPase Activity.
J. Chem. Inf. Model., May, 2023

2022
Virtual Screening Identifies Novel and Potent Inhibitors of <i>Mycobacterium tuberculosis</i> PknB with Antibacterial Activity.
J. Chem. Inf. Model., 2022

Identification of Potent DNA Gyrase Inhibitors Active against <i>Mycobacterium tuberculosis</i>.
J. Chem. Inf. Model., 2022

2020
Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography.
J. Chem. Inf. Model., 2020

2019
Simulations of Shikimate Dehydrogenase from Mycobacterium tuberculosis in Complex with 3-Dehydroshikimate and NADPH Suggest Strategies for MtbSDH Inhibition.
J. Chem. Inf. Model., 2019

Shift/collapse on neighbor list (SC-NBL): Fast evaluation of dynamic many-body potentials in molecular dynamics simulations.
Comput. Phys. Commun., 2019

2016
Rapid activity prediction of HIV-1 integrase inhibitors: harnessing docking energetic components for empirical scoring by chemometric and artificial neural network approaches.
J. Comput. Aided Mol. Des., 2016

2010
Investigation of excited-state properties of fluorene-thiophene oligomers by the SAC-CI theoretical approach.
J. Comput. Chem., 2010

Excited state properties, fluorescence energies, and lifetimes of a poly(fluorene-phenylene), based on TD-DFT investigation.
J. Comput. Chem., 2010

2009
3D Pharmacophore Mapping Using 4D QSAR Analysis for the Cytotoxicity of Lamellarins Against Human Hormone-Dependent T47D Breast Cancer Cells.
J. Chem. Inf. Model., 2009

Interactions between cycloguanil derivatives and wild type and resistance-associated mutant <i>Plasmodium falciparum</i> dihydrofolate reductases.
J. Comput. Aided Mol. Des., 2009

2007
Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigation.
J. Comput. Chem., 2007

2003
Structural Flexibility of Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitor: 9-Cl <i>TIBO</i> as Explained by Potential Energy Surface and <sup>13</sup>C and <sup>1</sup>H NMR Calculations, Based on <i>ab initio</i> and Density Functional Study.
J. Chem. Inf. Comput. Sci., 2003

Investigation on an Orientation and Interaction Energy of the Water Molecule in the HIV-1 Reverse Transcriptase Active Site by Quantum Chemical Calculations.
J. Chem. Inf. Comput. Sci., 2003

2001
3D-Quantitative Structure-Activity Relationships of HEPT Derivatives as HIV-1 Reverse Transcriptase Inhibitors, Based on Ab Initio Calculations.
J. Chem. Inf. Comput. Sci., 2001

Conformational analysis of nevirapine, a non-nucleoside HIV-1 reverse transcriptase inhibitor, based on quantum mechanical calculations.
J. Comput. Aided Mol. Des., 2001

1999
Quantitative structure-activity relationships and comparative molecular field analysis of TIBO derivatised HIV-1 reverse transcriptase inhibitors.
J. Comput. Aided Mol. Des., 1999

1996
Structure-activity correlation study of HIV-1 inhibitors: Electronic and molecular parameters.
J. Comput. Aided Mol. Des., 1996


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