S. Hannongbua

发表

The role of conserved QXG and binding affinity of S23G & S26G receptors on avian H5, swine H1 and human H1 of influenza A virus hemagglutinin.

Panita Kongsune, S. Hannongbua, 2018, Journal of molecular graphics & modelling.

Molecular insights into human receptor binding to 2009 H1N1 influenza A hemagglutinin

T. Rungrotmongkol, S. Hannongbua, Y. Poovorawan, 2010 .

Susceptibility of antiviral drugs against 2009 influenza A (H1N1) virus.

Thanyada Rungrotmongkol, Supot Hannongbua, Nadtanet Nunthaboot, 2009, Biochemical and biophysical research communications.

Design of oseltamivir analogs inhibiting neuraminidase of avian influenza virus H5N1.

T. Rungrotmongkol, S. Miertus, S. Hannongbua, 2009, Antiviral research.

Gate opening effect for carbon dioxide in ZIF-8 by molecular dynamics - Confirmed, but at high CO 2 pressure

J. Caro, W. Janke, C. Chmelik, 2016 .

Towards the design of new electron donors for Ziegler–Natta catalyzed propylene polymerization using QSPR modeling

T. Rungrotmongkol, S. Hannongbua, Manussada Ratanasak, 2015 .

Binding pattern of the long acting neuraminidase inhibitor laninamivir towards influenza A subtypes H5N1 and pandemic H1N1.

T. Rungrotmongkol, S. Hannongbua, Nadtanet Nunthaboot, 2012, Journal of molecular graphics & modelling.

Molecular insights into the binding affinity and specificity of the hemagglutinin cleavage loop from four highly pathogenic H5N1 isolates towards the proprotein convertase furin

T. Rungrotmongkol, P. Wolschann, Panita Kongsune, 2012, Monatshefte für Chemie - Chemical Monthly.

How strong is the edge effect in the adsorption of anticancer drugs on a graphene cluster?

T. Rungrotmongkol, P. Wolschann, S. Hannongbua, 2016, Journal of Molecular Modeling.

Simple method for the layer-by-layer surface modification of multiwall carbon nanotubes

S. Hannongbua, A. Soottitantawat, S. Dubas, 2011 .

Protein–protein interactions between SWCNT/chitosan/EGF and EGF receptor: a model of drug delivery system

T. Rungrotmongkol, S. Hannongbua, N. Kungwan, 2016, Journal of biomolecular structure & dynamics.

Catalytic cracking of polypropylene using aluminosilicate catalysts

S. Hannongbua, D. Jiraroj, Arisara Chaipurimat, 2016 .

A water-swap reaction coordinate for the calculation of absolute protein-ligand binding free energies.

Supot Hannongbua, Christopher J. Woods, Adrian J Mulholland, 2011, The Journal of chemical physics.

Structural Basis of Specific Glucoimidazole and Mannoimidazole Binding by Os3BGlu7

T. Rungrotmongkol, V. Lee, S. Hannongbua, 2020, Biomolecules.

Source of high pathogenicity of an avian influenza virus H5N1: why H5 is better cleaved by furin.

T. Rungrotmongkol, S. Hannongbua, M. Malaisree, 2008, Biophysical journal.

Effect of D168V mutation in NS3/4A HCV protease on susceptibilities of faldaprevir and danoprevir.

T. Rungrotmongkol, S. Hannongbua, N. Kungwan, 2016, Molecular bioSystems.

Model of saturated lithium ammonia as a single-component liquid metal.

S. Hannongbua, U. Pinsook, 2006, The Journal of chemical physics.

Conformation study of ɛ-cyclodextrin: Replica exchange molecular dynamics simulations.

T. Rungrotmongkol, H. Okumura, P. Wolschann, 2016, Carbohydrate polymers.

Theoretical studies on the molecular basis of HIV-1RT/NNRTIs interactions

P. Wolschann, S. Hannongbua, P. Decha, 2011, Journal of enzyme inhibition and medicinal chemistry.

Susceptibility of inhibitors against 3C protease of coxsackievirus A16 and enterovirus A71 causing hand, foot and mouth disease: A molecular dynamics study.

T. Rungrotmongkol, P. Wolschann, S. Hannongbua, 2016, Biophysical chemistry.

Increased dispersion and solubility of carbon nanotubes noncovalently modified by the polysaccharide biopolymer, chitosan: MD simulations

T. Rungrotmongkol, U. Ruktanonchai, S. Hannongbua, 2011, Chemical Physics Letters.

The study of hydrophobic hydration in supercritical water-methanol mixtures.

T. Kerdcharoen, S. Noskov, S. Hannongbua, 2001, Journal of molecular graphics & modelling.

The best structural data of liquid ammonia based on the pair approximation: First-principles Monte Carlo simulation

S. Hannongbua, 2000 .

Molecular prediction of oseltamivir efficiency against probable influenza A (H1N1-2009) mutants: molecular modeling approach

Thanyada Rungrotmongkol, Supot Hannongbua, Nadtanet Nunthaboot, 2010, Amino Acids.

A 3D‐RISM/RISM study of the oseltamivir binding efficiency with the wild‐type and resistance‐associated mutant forms of the viral influenza B neuraminidase

Daniel J. Sindhikara, N. Yoshida, F. Hirata, 2016, Protein science : a publication of the Protein Society.

Molecular Structure and Electronic Properties of Porphyrin-Thiophene-Perylene Using Quantum Chemical Calculation

S. Hannongbua, P. Thamyongkit, O. Saengsawang, 2010 .

N2 in ZIF-8: Sorbate induced structural changes and self-diffusion

J. Caro, W. Janke, T. Remsungnen, 2014 .

Identification of repurposing therapeutics toward SARS-CoV-2 main protease by virtual screening

T. Rungrotmongkol, V. Lee, P. Wolschann, 2022, PloS one.

Effect of silver nanoparticles on rice (Oryza sativa L. cv. KDML 105) seed germination and seedling growth.

S. Hannongbua, S. Chadchawan, Pakvirun Thuesombat, 2014, Ecotoxicology and environmental safety.

Computational studies of influenza A virus at three important targets: hemagglutinin, neuraminidase and M2 protein.

T. Rungrotmongkol, S. Hannongbua, Nadtanet Nunthaboot, 2011, Current pharmaceutical design.

RECOGNITION OF HEMAGGLUTININ IN AVIAN INFLUENZA VIRUS TO HUMAN SIALIC-GALACTOSE USING IN SILICO TECHNIQUE

S. Hannongbua, P. Sompornpisut, 2009 .

The structure of supercritical ammonia as studied by molecular dynamics simulations

K. Heinzinger, T. Kerdcharoen, S. Hannongbua, 2000 .

Newly developed ab initio fitted potentials for molecular dynamics simulations of n-pentane in the zeolite silicalite-1

S. Hannongbua, S. Fritzsche, A. Loisruangsin, 2004 .

Combined Adsorption and Reaction in the Ternary Mixture N2, N2O4, NO2 on MIL-127 Examined by Computer Simulations

J. Caro, W. Janke, T. Remsungnen, 2020, ACS omega.

Interactions of HLA-DR and Topoisomerase I Epitope Modulated Genetic Risk for Systemic Sclerosis

H. Noguchi, T. Rungrotmongkol, P. Wolschann, 2019, Scientific Reports.

Exceptionally high selectivity in the separation of light hydrocarbons by adsorption on MIL-127(Fe) and on a (9,9) carbon nanotube.

W. Janke, S. Hannongbua, S. Fritzsche, 2022, Journal of molecular graphics & modelling.

Structural and Dynamical Properties of a Full-length HIV-1 Integrase: Molecular Dynamics Simulations

T. Truong, S. Hannongbua, Atchara Wijitkosoom, 2006, Journal of biomolecular structure & dynamics.

Temperature effects on the structure and dynamics of the Jahn-Teller distorted Cr(2+) ion in aqueous solution: a hybrid QM/MM molecular dynamics simulation.

S. Hannongbua, Chinapong Kritayakornupong, 2010, Dalton transactions.

Ab initio potential energy surface and molecular dynamics simulations for the determination of the diffusion coefficient of water in silicalite-1

S. Hannongbua, R. Haberlandt, S. Fritzsche, 2002 .

Semi-Synthesis of N-Aryl Amide Analogs of Piperine from Piper nigrum and Evaluation of Their Antitrypanosomal, Antimalarial, and Anti-SARS-CoV-2 Main Protease Activities

T. Rungrotmongkol, Y. Shigeta, S. Hannongbua, 2022, Molecules.

Determination of T Cell Responses in Thai Systemic Sclerosis Patients

T. Rungrotmongkol, K. Boonnak, S. Hannongbua, 2022, Journal of immunology research.

Solvation structures of the 18-crown-6 in carbon tetrachloride as studied by Monte-Carlo simulation based on ab initio potential models

T. Kerdcharoen, M. Kiselev, S. Hannongbua, 2006 .

Molecular dynamics simulations of a potassium ion and an iodide ion in liquid ammonia

B. Rode, S. Hannongbua, Anan Tongraar, 1997 .

Zinc(II) in liquid ammonia: Intermolecular potential including three‐body terms and Monte Carlo simulation

T. Kerdcharoen, B. Rode, S. Hannongbua, 1992 .

Ethylene insertion in the presence of new alkoxysilane electron donors for Ziegler-Natta catalyzed polyethylene

T. Rungrotmongkol, S. Hannongbua, N. Kungwan, 2017 .

The optimal binding sites of CH4 and CO2 molecules on the metal-organic framework MOF-5: ONIOM calculations

T. Remsungnen, S. Hannongbua, Chinapong Kritayakornupong, 2008 .

Crystal structure of a unique sodium distorted linkage in diclofenac sodium pentahydrate.

S. Hannongbua, N. Chaichit, N. Muangsin, 2002, Analytical sciences : the international journal of the Japan Society for Analytical Chemistry.

Effect of Water Microsolvation on the Excited-State Proton Transfer of 3-Hydroxyflavone Enclosed in γ-Cyclodextrin

T. Rungrotmongkol, P. Wolschann, S. Namuangruk, 2021, Molecules.

A computational study of adsorption of divalent metal ions on graphene oxide

T. Rungrotmongkol, S. Hannongbua, O. Saengsawang, 2017 .

Hydrogen bonding in molecular recognition by HIV-1 protease

P. Wolschann, S. Hannongbua, O. Aruksankunwong, 2006 .

Solvation structure and dynamics of ammonium (NH4+) in liquid ammonia studied by HF/MM and B3LYP/MM molecular dynamics simulations.

S. Hannongbua, Anan Tongraar, 2008, The journal of physical chemistry. B.

Ab initio study of collisions between Li and C60

S. Hannongbua, T. Aree, 1997 .

Insight into why pyrrolidinyl peptide nucleic acid binding to DNA is more stable than the DNA x DNA duplex.

T. Vilaivan, S. Hannongbua, Suwipa Saen-oon, 2008, Biochemical and biophysical research communications.

Key Binding and Susceptibility of NS3/4A Serine Protease Inhibitors against Hepatitis C Virus

Thanyada Rungrotmongkol, Supot Hannongbua, Arthitaya Meeprasert, 2014, J. Chem. Inf. Model..

Encapsulation of alpha-mangostin and hydrophilic beta-cyclodextrins revealed by all-atom molecular dynamics simulations

T. Rungrotmongkol, P. Wolschann, S. Hannongbua, 2019, Journal of Molecular Liquids.

Petrosamine, a potent anticholinesterase pyridoacridine alkaloid from a Thai marine sponge Petrosia n. sp.

T. Rungrotmongkol, K. Ingkaninan, S. Hannongbua, 2008, Bioorganic & medicinal chemistry.

Quantum chemical calculations on structure and bonding of macrocyclic complexes of Li(I) and Na(I)

B. Rode, S. Hannongbua, 1985 .

Molecular Dynamics Simulations of the Interaction of Beta Cyclodextrin with a Lipid Bilayer

Thanyada Rungrotmongkol, Supot Hannongbua, Peter Wolschann, 2015, J. Chem. Inf. Model..

Quantum-chemical investigations on the interaction of alkaline-earth-metal ions with macrocyclic compounds

B. Rode, S. Hannongbua, 1985 .

Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics

Thanyada Rungrotmongkol, Supot Hannongbua, Peter Wolschann, 2017, J. Chem. Inf. Model..

Encapsulation of α-tocopherol in large-ring cyclodextrin containing 26 α-D-glucopyranose units: A molecular dynamics study

T. Rungrotmongkol, S. Hannongbua, R. P. Poo-arporn, 2021 .

Macrocyclic effect and conformational analysis of the mixed-donor macrocycle 12-ane N2O2 by means of quantum chemical methods

S. Hannongbua, 1992 .

The influence of Na+ on neighbouring hydrogen bonds of aliphatic amino acid

S. Hannongbua, S. Kokpol, J. Limtrakul, 1989 .

The hydration structure of 18-crown-6/K+ complex as studied by Monte Carlo simulation using ab initio fitted potential.

T. Kerdcharoen, S. Hannongbua, S. Krongsuk, 2006, Journal of molecular graphics & modelling.

Ab initio study of the hydration of the glycine zwitterion

B. Rode, S. Hannongbua, S. Kokpol, 1988 .

Litchi chinensis-derived terpenoid as anti-HIV-1 protease agent: structural design from molecular dynamics simulations

V. Lee, P. Wolschann, P. Nimmanpipug, 2009 .

Accurate prediction of protonation state as a prerequisite for reliable MM‐PB(GB)SA binding free energy calculations of HIV‐1 protease inhibitors

Supot Hannongbua, Michael Feig, Kitiyaporn Wittayanarakul, 2008, J. Comput. Chem..

Gate Opening, Diffusion, and Adsorption of CO2 and N2 Mixtures in ZIF-8

J. Caro, W. Janke, C. Chmelik, 2016 .

Is there a coupling between rotational and translational motion of methane in silicalite-1 and AlPO4-5?

T. Osotchan, J. Kärger, S. Hannongbua, 2005 .

Rotational Motion of Pentane in the Flat γ Cages of Zeolite KFI

P. Magusin, T. Remsungnen, S. Hannongbua, 2008 .

A novel Møller-Plesset perturbation based potential for determining the structural and dynamical properties of methane in silicalite-1: A molecular dynamics study

S. Hannongbua, S. Fritzsche, C. Bussai, 2004 .

Diffusion of n-pentane in the zeolite ZK5 studied by high-temperature configuration-space exploration

A. J. Dammers, M. Coppens, T. Remsungnen, 2010 .

An alternative approach for ab initio fitted potentials: The n-pentane/silicalite-1 system

S. Hannongbua, S. Fritzsche, A. Loisruangsin, 2008 .

Replica exchange molecular dynamics simulation of chitosan for drug delivery system based on carbon nanotube.

T. Rungrotmongkol, H. Okumura, S. Hannongbua, 2013, Journal of molecular graphics & modelling.

Molecular dynamics properties of varying amounts of the anticancer drug gemcitabine inside an open-ended single-walled carbon nanotube

T. Rungrotmongkol, S. Hannongbua, C. Rungnim, 2012 .

High-level QM/MM calculations support the concerted mechanism for Michael addition and covalent complex formation in thymidylate synthase.

A. Mulholland, T. Rungrotmongkol, S. Hannongbua, 2015, Journal of chemical theory and computation.

Binding specificity of polypeptide substrates in NS2B/NS3pro serine protease of dengue virus type 2: A molecular dynamics Study.

H. Wahab, T. Rungrotmongkol, S. Choi, 2015, Journal of molecular graphics & modelling.

Molecular encapsulation of a key odor-active 2-acetyl-1-pyrroline in aromatic rice with β-cyclodextrin derivatives

T. Rungrotmongkol, S. Hannongbua, Thanapon Charoenwongpaiboon, 2021 .

Conformational analysis of Be(II) and Mg(II) complexes of N-acetyl alanine methyl ester

B. Rode, S. Hannongbua, S. Kokpol, 1989 .

Formation of low-density water clusters in the silicalite-1 cage: A molecular dynamics study

S. Hannongbua, R. Haberlandt, S. Fritzsche, 2003 .

On the diffusion of water in silicalite-1: MD simulations using ab initio fitted potential and PFG NMR measurements

J. Kärger, S. Hannongbua, R. Haberlandt, 2002 .

AB INITIO STUDY OF ION-AMMONIA COMPLEXES : GEOMETRY AND MANY-BODY INTERACTIONS

T. Kerdcharoen, S. Hannongbua, 1999 .

Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA study

Thanyada Rungrotmongkol, Supot Hannongbua, Jiraphorn Phanich, 2016, Journal of Computer-Aided Molecular Design.

Glycan binding and specificity of viral influenza neuraminidases by classical molecular dynamics and replica exchange molecular dynamics simulations

T. Rungrotmongkol, S. Hannongbua, N. Kungwan, 2018, Journal of biomolecular structure & dynamics.

In Silico Elucidation of Potent Inhibitors and Rational Drug Design against SARS-CoV-2 Papain-like Protease

T. Rungrotmongkol, S. Hannongbua, Kamonpan Sanachai, 2021, The journal of physical chemistry. B.

Computational study on peptidomimetic inhibitors against SARS-CoV-2 main protease

T. Rungrotmongkol, V. Lee, S. Hannongbua, 2020, Journal of Molecular Liquids.

Molecular Dynamics Study on Laninamivir Inhibiting Neuraminidases of H 5 N 1 and pH 1 N 1 Influenza a Viruses

T. Rungrotmongkol, S. Hannongbua, A. Meeprasert, 2013 .

Molecular Dynamics Study on Laninamivir Inhibiting Neuraminidases of H5N1 and pH1N1 Influenza a Viruses

T. Rungrotmongkol, S. Hannongbua, A. Meeprasert, 2012 .

New Orthorhombic Form of 2-[(2,6-Dichlorophenyl)amino]benzeneacetic Acid (Diclofenac Acid)

S. Hannongbua, S. Ruangchaithaweesuk, N. Chaichit, 2001, Analytical sciences : the international journal of the Japan Society for Analytical Chemistry.

Structure determination of diclofenac in a diclofenac-containing chitosan matrix using conventional X-ray powder diffraction data

S. Hannongbua, N. Chaichit, Krisana Siraleartmukul, 2004 .

Atomistic mechanisms underlying the activation of the G protein-coupled sweet receptor heterodimer by sugar alcohol recognition

T. Rungrotmongkol, S. Hannongbua, N. Kungwan, 2019, Scientific Reports.

Molecular Dynamics Simulation Reveals the Selective Binding of Human Leukocyte Antigen Alleles Associated with Behçet's Disease

Nopporn Kaiyawet, Thanyada Rungrotmongkol, Supot Hannongbua, 2015, PloS one.

Interactions of HLA-DR and Topoisomerase I Epitope Modulated Genetic Risk for Systemic Sclerosis

H. Noguchi, T. Rungrotmongkol, P. Wolschann, 2019, Scientific Reports.

Lymphocyte proliferation induced by high-affinity peptides for HLA-B*51:01 in Behçet’s uveitis

H. Noguchi, T. Rungrotmongkol, M. Aihara, 2019, PloS one.

Halogenated Baicalein as a Promising Antiviral Agent toward SARS-CoV-2 Main Protease

T. Rungrotmongkol, Y. Shigeta, S. Hannongbua, 2022, J. Chem. Inf. Model..

How amantadine and rimantadine inhibit proton transport in the M2 protein channel.

Thanyada Rungrotmongkol, Supot Hannongbua, Maturos Malaisree, 2008, Journal of molecular graphics & modelling.

Effect of Halogen Substitutions on dUMP to Stability of Thymidylate Synthase/dUMP/mTHF Ternary Complex Using Molecular Dynamics Simulation

Nopporn Kaiyawet, Thanyada Rungrotmongkol, Supot Hannongbua, 2013, J. Chem. Inf. Model..

Structural analysis of lead fullerene-based inhibitor bound to human immunodeficiency virus type 1 protease in solution from molecular dynamics simulations.

Supot Hannongbua, Pornthep Sompornpisut, Piyarat Nimmanpipug, 2007, Journal of molecular graphics & modelling.

Simple sequential injection analysis system for rapid determination of microalbuminuria.

Supot Hannongbua, Orawon Chailapakul, Wanida Laiwattanapaisal, 2009, Talanta.

Evolution of Human Receptor Binding Affinity of H1N1 Hemagglutinins from 1918 to 2009 Pandemic Influenza A Virus

Nopporn Kaiyawet, Thanyada Rungrotmongkol, Supot Hannongbua, 2010, J. Chem. Inf. Model..

Direct QM/MM simulation of photoexcitation dynamics in bacteriorhodopsin and halorhodopsin

T. Martínez, S. Hannongbua, C. Punwong, 2014 .

Solvation structure of glucosamine in aqueous solution as studied by Monte Carlo simulation using ab initio fitted potential

T. Remsungnen, S. Hannongbua, Krisana Siraleartmukul, 2004 .

Separation of nitrogen dioxide from the gas mixture with nitrogen by use of ZIF materials; computer simulation studies

W. Janke, J. Caro, T. Remsungnen, 2019, Computational Materials Science.

The effect of the degree of deacetylation of chitosan on its dispersion of carbon nanotubes

S. Hannongbua, A. Soottitantawat, S. Dubas, 2010 .

Molecular and electronic properties of HIV-1 protease inhibitor C60 derivatives as studied by the ONIOM method

Supot Hannongbua, Vudhichai Parasuk, S. Hannongbua, 2005 .

Source of high pathogenicity of an avian influenza virus H5N1: why H5 is better cleaved by furin.

T. Rungrotmongkol, S. Hannongbua, M. Malaisree, 2008, Biophysical journal.

On the lower susceptibility of oseltamivir to influenza neuraminidase subtype N1 than those in N2 and N9.

Supot Hannongbua, Maturos Malaisree, Panita Decha, 2007, Biophysical journal.

Investigating adsorption- and diffusion selectivity of CO2 and CH4 from air on zeolitic imidazolate Framework-78 using molecular simulations

J. Kärger, S. Hannongbua, S. Fritzsche, 2019, Microporous and Mesoporous Materials.

Long time scale GPU dynamics reveal the mechanism of drug resistance of the dual mutant I223R/H275Y neuraminidase from H1N1-2009 influenza virus.

Supot Hannongbua, Christopher J. Woods, Adrian J Mulholland, 2012, Biochemistry.

Structure and electronic properties of deformed single-walled carbon nanotubes: quantum calculations

T. Rungrotmongkol, S. Hannongbua, N. Kungwan, 2018, Structural Chemistry.

Molecular-dynamics simulations of pyronine 6G and rhodamine 6G dimers in aqueous solution

N. Rösch, S. Hannongbua, Khatcharin Siriwong, 2006, Journal of molecular modeling.

Molecular Dynamic Behavior and Binding Affinity of Flavonoid Analogues to the Cyclin Dependent Kinase 6/cyclin D Complex

Thanyada Rungrotmongkol, Supot Hannongbua, Wasinee Khuntawee, 2012, J. Chem. Inf. Model..

Understanding of known drug‐target interactions in the catalytic pocket of neuraminidase subtype N1

Thanyada Rungrotmongkol, Supot Hannongbua, Maturos Malaisree, 2008, Proteins.

Why Are Lopinavir and Ritonavir Effective against the Newly Emerged Coronavirus 2019? Atomistic Insights into the Inhibitory Mechanisms

Thanyada Rungrotmongkol, Supot Hannongbua, Yasuteru Shigeta, 2020, Biochemistry.

Source of Oseltamivir Resistance Due to R152K Mutation of Influenza B Virus Neuraminidase: Molecular Modeling

T. Rungrotmongkol, S. Hannongbua, J. Tengrang, 2012 .

Proton transport through the influenza A M2 channel: three-dimensional reference interaction site model study.

Thanyada Rungrotmongkol, Supot Hannongbua, Norio Yoshida, 2010, Journal of the American Chemical Society.

Molecular dynamics simulation of supercritical ammonia and metal-ammonia solutions

K. Heinzinger, M. Kiselev, S. Hannongbua, 2000 .

Molecular dynamic simulations analysis of ritronavir and lopinavir as SARS-CoV 3CLpro inhibitors

V. Lee, S. Hannongbua, M. Malaisree, 2008, Journal of Theoretical Biology.

In Vitro and In Silico Study on the Molecular Encapsulation of α-Tocopherol in a Large-Ring Cyclodextrin

T. Rungrotmongkol, P. Wolschann, S. Hannongbua, 2023, International journal of molecular sciences.

Monte Carlo simulations of a magnesium ion in liquid ammonia

B. Rode, S. Hannongbua, 1992 .

How do carbon nanotubes serve as carriers for gemcitabine transport in a drug delivery system?

Thanyada Rungrotmongkol, Supot Hannongbua, Kitiyaporn Wittayanarakul, 2011, Journal of molecular graphics & modelling.

Combined QM/MM mechanistic study of the acylation process in furin complexed with the H5N1 avian influenza virus hemagglutinin's cleavage site

T. Rungrotmongkol, S. Hannongbua, Nadtanet Nunthaboot, 2009, Proteins.

Methane in zeolitic imidazolate framework ZIF-90: Adsorption and diffusion by molecular dynamics and Gibbs ensemble Monte Carlo

T. Rungrotmongkol, T. Remsungnen, C. Chmelik, 2016 .

Why Amantadine Loses Its Function in Influenza M2 Mutants: MD Simulations

Thanyada Rungrotmongkol, Supot Hannongbua, Maturos Malaisree, 2009, J. Chem. Inf. Model..

Molecular Dynamic and Free Energy Studies of Primary Resistance Mutations in HIV-1 Protease-Ritonavir Complexes

Supot Hannongbua, Pornthep Sompornpisut, Peter Wolschann, 2006, J. Chem. Inf. Model..

Rotational flexibility of bridging ligands in paddle–wheel layer–pillar metal–organic frameworks studied by quantum calculations

T. Remsungnen, S. Hannongbua, Viwat Vchirawongkwin, 2012 .

A molecular dynamics (MD) study of methane in silicalite-1: A novel Møller-Plesset potential energy surface

S. Hannongbua, R. Haberlandt, S. Fritzsche, 2004 .

Theoretical investigation of thiophene-linked porphyrin-perylene photosensitiser for bulk-heterojunction solar cells

S. Hannongbua, P. Thamyongkit, T. Chokbunpiam, 2018 .

Molecular dynamics simulation of HIV-1 fusion domain-membrane complexes: Insight into the N-terminal gp41 fusion mechanism.

G. Ullmann, S. Hannongbua, Siriporn Promsri, 2012, Biophysical chemistry.

Molecular dynamics simulation of HIV-1 fusion domain-membrane complexes : Insight into the N-terminal gp 41 fusion mechanism

G. Ullmann, S. Hannongbua, Siriporn Promsri, 2012 .

How does each substituent functional group of oseltamivir lose its activity against virulent H5N1 influenza mutants?

Thanyada Rungrotmongkol, Supot Hannongbua, Nadtanet Nunthaboot, 2009, Biophysical chemistry.

Source of oseltamivir resistance in avian influenza H5N1 virus with the H274Y mutation

Thanyada Rungrotmongkol, Supot Hannongbua, Nadtanet Nunthaboot, 2009, Amino Acids.

Molecular insight into the specific binding of ADP-ribose to the nsP3 macro domains of chikungunya and Venezuelan equine encephalitis viruses: molecular dynamics simulations and free energy calculations.

Nopporn Kaiyawet, Thanyada Rungrotmongkol, Supot Hannongbua, 2010, Journal of molecular graphics & modelling.

Adsorption and the Chemical Reaction N2O4 ↔ 2NO2 in the Presence of N2 in a Gas Phase Connected with a Carbon Nanotube

W. Janke, T. Remsungnen, S. Hannongbua, 2021, ACS omega.

MD simulations of hydrogen diffusion in ZIF-11 with a force field fitted to experimental adsorption data

W. Janke, C. Chmelik, J. Kärger, 2015 .

Atomistic mechanisms underlying the activation of the G protein-coupled sweet receptor heterodimer by sugar alcohol recognition

T. Rungrotmongkol, S. Hannongbua, N. Kungwan, 2019, Scientific Reports.

Importance of ZIF-90 Lattice Flexibility on Diffusion, Permeation, and Lattice Structure for an adsorbed H2/CH4 Gas Mixture: A Re-Examination by Gibbs Ensemble Monte Carlo and Molecular Dynamics Simulations

J. Caro, W. Janke, C. Chmelik, 2017 .

PYTHAGOREAN TRIPLES OVER NUMBER FIELDS Miss Cheranoot Somboonkulavudi A Dissertation Submitted in Partial Fulfillment of the Requirements for the Degree of Doctor of Philosophy Program in Mathematics

S. Hannongbua, A. Harnchoowong, 2012 .

Current Development on HIV-1 Protease Inhibitors

V. Lee, P. Nimmanpipug, S. Hannongbua, 2007 .

Porous material adsorbents ZIF-8, ZIF-67, Co/Zn-ZIF and MIL-127(Fe) for separation of H2S from a H2S/CH4 mixture

W. Janke, T. Remsungnen, S. Hannongbua, 2022, Molecular Simulation.

Computational model for lipid binding regions in phospholipase (Ves a 1) from Vespa venom

T. Rungrotmongkol, S. Hannongbua, S. Daduang, 2023, Scientific reports.

The importance of lattice flexibility for the migration of ethane in ZIF-8: Molecular dynamics simulations

J. Caro, S. Reimann, T. Remsungnen, 2013 .

Simulations of liquid ammonia based on the combined quantum mechanical/molecular mechanical (QM/MM) approach.

T. Kerdcharoen, S. Hannongbua, Anan Tongraar, 2006, The journal of physical chemistry. A.

Optimal binding site of a methane molecule on the silanol covered (010) surface of silicalite-1: ONIOM calculations.

T. Remsungnen, S. Hannongbua, A. Schüring, 2006, The journal of physical chemistry. B.

Structure and energetics of water-silanol binding on the surface of silicalite-1: quantum chemical calculations.

T. Remsungnen, S. Hannongbua, R. Haberlandt, 2005, The journal of physical chemistry. B.

Diffusion of water in silicalite by molecular dynamics simulations: Ab initio based interactions

S. Hannongbua, R. Haberlandt, S. Fritzsche, 2002 .

Structure and dynamics of high-spin Ru2+ in aqueous solution: Ab initio QM/MM molecular dynamics simulation

S. Hannongbua, Chinapong Kritayakornupong, 2007 .

On the diffusion of water in silicalite-1: MD simulations using ab initio fitted potential and PFG NMR measurements

J. Kärger, S. Hannongbua, R. Haberlandt, 2002 .

Insights into saquinavir resistance in the G48V HIV-1 protease: quantum calculations and molecular dynamic simulations.

Supot Hannongbua, Wasun Chantratita, Pornthep Sompornpisut, 2005, Biophysical journal.

Evaluating how rimantadines control the proton gating of the influenza A M2-proton port via allosteric binding outside of the M2-channel: MD simulations

Supot Hannongbua, Pathumwadee Intharathep, S. Hannongbua, 2011, Journal of enzyme inhibition and medicinal chemistry.

Why Amantadine Loses Its Function in Influenza M2 Mutants: MD Simulations

T. Rungrotmongkol, S. Hannongbua, M. Malaisree, 2009, J. Chem. Inf. Model..

A computational H5N1 neuraminidase model and its binding to commercial drugs

V. Lee, C. Ngaojampa, P. Nimmanpipug, 2007 .

On the solvation of lithium ions in liquid ammonia: Monte Carlo simulations with a three-body potential

S. Hannongbua, 1998 .

CHARGE TRANSFER, POLARIZABILITY AND STABILITY OF LI-C60 COMPLEXES

T. Kerdcharoen, S. Hannongbua, T. Aree, 1998 .

QM/MM MD simulations of iodide ion (I(-)) in aqueous solution: a delicate balance between ion-water and water-water H-bond interactions.

B. Rode, S. Hannongbua, Anan Tongraar, 2010, The journal of physical chemistry. A.

FMO-guided design of darunavir analogs as HIV-1 protease inhibitors

T. Rungrotmongkol, V. Lee, S. Hannongbua, 2024, Scientific reports.