Supa Hannongbua
0000-0002-9901-4466
Kasetsart University
105 papers found
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Conformational analysis and electronic transition of carbazole-based oligomers as explained by density functional theory
A combined MD–ONIOM2 approach for 1H NMR chemical shift calculations including a polar solvent
Investigation on the Binding of Polycyclic AromaticHydrocarbons with Soil Organic Matter: A Theoretical Approach
Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigation
Conformational Analysis of Nevirapine in Solutions Based on Nmr Spectroscopy and Quantum Chemical Calculations
The Analysis of Binding Patterns on Different Receptors Bound to Hemagglutinin of Avian and Avian-Like Influenza Virus Using Quantum Chemical Calculations
Structures, Absorption Spectra, and Electronic Properties of Polyfluorene and Its Derivatives: A Theoretical Study
Computer-aided molecular design of highly potent HIV-1 RT inhibitors: 3D QSAR and molecular docking studies of efavirenz derivatives
ONIOM-BSSE scheme for H⋯π system and applications on HIV-1 reverse transcriptase
Design of nevirapine derivatives insensitive to the K103N and Y181C HIV-1 reverse transcriptase mutants
New Racemosol Derivatives as Potent Cyclooxygenase (COX) Inhibitors
Binding energy analysis for wild-type and Y181C mutant HIV-1 RT/8-Cl TIBO complex structures: Quantum chemical calculations based on the ONIOM method
Electronic properties of alkoxy derivatives of poly(para-phenylenevinylene), investigated by time-dependent density functional theory calculations
Virtual Screening for Anti-HIV-1 RT and Anti-HIV-1 PR Inhibitors from the Thai Medicinal Plants Database: A Combined Docking with Neural Networks Approach
SAC–CI theoretical investigation on electronic structure of fluorene–thiophene oligomers
Competitive inhibition of the dengue virus NS3 serine protease by synthetic peptides representing polyprotein cleavage sites
Molecular mechanics PBSA ligand binding energy and interaction of Efavirenz derivatives with HIV-1 reverse transcriptase
Particular interaction between efavirenz and the HIV-1 reverse transcriptase binding site as explained by the ONIOM2 method
Inhibitory effects of 2-substituted-1-naphthol derivatives on cyclooxygenase I and II
Theoretical Investigation on Energy Gap of Fluorene-Thiophene Copolymer
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