Nadtanet Nunthaboot

发表

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.

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.

Simulation of ultrafast non-exponential fluorescence decay induced by electron transfer in FMN binding protein

Nadtanet Nunthaboot, N. Mataga, F. Tanaka, 2009 .

Density functional investigation of hydrogen gas adsorption on Fe−doped pristine and Stone−Wales defected single−walled carbon nanotubes

Nadtanet Nunthaboot, Vithaya Ruangpornvisuti, Banchob Wanno, 2012, Journal of Molecular Modeling.

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

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

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.

Insights into binding molecular mechanism of hemagglutinin H3N2 of influenza virus complexed with arbidol and its derivative: A molecular dynamics simulation perspective

T. Rungrotmongkol, Nadtanet Nunthaboot, B. Nutho, 2022, Comput. Biol. Chem..

Exploring of paritaprevir and glecaprevir resistance due to A156T mutation of HCV NS3/4A protease: molecular dynamics simulation study

T. Rungrotmongkol, Nadtanet Nunthaboot, B. Nutho, 2021, Journal of biomolecular structure & dynamics.

Understanding of the drug resistance mechanism of hepatitis C virus NS3/4A to paritaprevir due to D168N/Y mutations: A molecular dynamics simulation perspective

Thanyada Rungrotmongkol, Nadtanet Nunthaboot, Thitiya Boonma, 2019, Comput. Biol. Chem..

A density functional investigation of 1,3-bis(4-nitrophenyl)urea as anion receptor

Nadtanet Nunthaboot, Vithaya Ruangpornvisuti, Banchob Wanno, 2009 .

Metadynamics supports molecular dynamics simulation-based binding affinities of eucalyptol and beta-cyclodextrin inclusion complexes

T. Rungrotmongkol, P. Wolschann, Nadtanet Nunthaboot, 2017 .

Group 8B transition metal-doped (5,5) boron nitride nanotubes for NH3 storage and sensing: a theoretical investigation

Nadtanet Nunthaboot, Banchob Wanno, Ployvadee Sripadung, 2019, Monatshefte für Chemie - Chemical Monthly.

Structural dynamics and binding free energy of neral-cyclodextrins inclusion complexes: molecular dynamics simulation

T. Rungrotmongkol, P. Wolschann, Nadtanet Nunthaboot, 2017 .

New Aspects of the Structure of d-Amino Acid Oxidase from Porcine Kidney in Solution: Molecular Dynamics Simulation and Photoinduced Electron Transfer

Nadtanet Nunthaboot, F. Tanaka, Kiattisak Lugsanangarm, 2017 .

DFT investigation of O2 and PH3 adsorptions on group 8B metal˗doped boron nitride nanotubes

Nadtanet Nunthaboot, Banchob Wanno, Ployvadee Sripadung, 2018 .

Three-dimensional quantitative structure: activity relationship studies on diverse structural classes of HIV-1 integrase inhibitors using CoMFA and CoMSIA.

P. Wolschann, Nadtanet Nunthaboot, V. Parasuk, 2006, European journal of medicinal chemistry.

Molecular dynamics simulation of energy migration between tryptophan residues in apoflavodoxin

A. Visser, Nadtanet Nunthaboot, F. Tanaka, 2014 .

Photoinduced electron transfer modeling to simulate flavoprotein fluorescence decay.

Nadtanet Nunthaboot, F. Tanaka, Kiattisak Lugsanangarm, 2014, Methods in molecular biology.

In Silico ADME, Metabolism Prediction and Hydrolysis Study of Melatonin Derivatives

Nadtanet Nunthaboot, P. Puthongking, Panyada Panyatip, 2020, International journal of tryptophan research : IJTR.

The mechanism of photoinduced electron transfer in the d-amino acid oxidase–benzoate complex from pig kidney: Electron transfer in the inverted region

Nadtanet Nunthaboot, F. Tanaka, Kiattisak Lugsanangarm, 2012 .

Theoretical Analyses of Photoinduced Electron Transfer from Aromatic Amino Acids to the Excited Flavins in Some Flavoproteins

Nadtanet Nunthaboot, F. Tanaka, Kiattisak Lugsanangarm, 2012 .

Theoretical analyses of photoinduced electron transfer in medium chain acyl-CoA dehydrogenase: Electron transfer in the normal region

Nadtanet Nunthaboot, F. Tanaka, Kiattisak Lugsanangarm, 2011 .

Simultaneous analyses of photoinduced electron transfer in the wild type and four single substitution isomers of the FMN binding protein from Desulfovibrio vulgaris, Miyazaki F.

Nadtanet Nunthaboot, F. Tanaka, S. Kokpol, 2011, Physical chemistry chemical physics : PCCP.

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..

Simultaneous analyses of the rates of photoinduced charge separation and recombination between the excited flavin and tryptophans in some flavoproteins: Molecular dynamics simulation

Nadtanet Nunthaboot, F. Tanaka, H. Tamaoki, 2020 .

Photoinduced electron transfer from aromatic amino acids to the excited isoalloxazine in single mutated flavin mononucleotide binding proteins: Effect of the dimer formation on the rate and the electrostatic energy inside the proteins

Nadtanet Nunthaboot, F. Tanaka, T. Nakanishi, 2017 .

Photoinduced electron transfer from aromatic amino acids to the excited isoalloxazine in flavin mononucleotide binding protein. Is the rate in the inverted region of donor–acceptor distance not real?

Nadtanet Nunthaboot, F. Tanaka, T. Nakanishi, 2016 .

Classification of the mechanisms of photoinduced electron transfer from aromatic amino acids to the excited flavins in flavoproteins.

Nadtanet Nunthaboot, F. Tanaka, Kiattisak Lugsanangarm, 2015, Physical chemistry chemical physics : PCCP.

Bell-shaped dependence of the rate of ultrafast photoinduced electron transfer from aromatic amino acids to the excited flavin on the donor–acceptor distance in FMN binding proteins

Nadtanet Nunthaboot, F. Tanaka, T. Nakanishi, 2014 .

Simultaneous analysis of photoinduced electron transfer in wild type and mutated AppAs

Nadtanet Nunthaboot, S. Kokpol, F. Tanaka, 2010 .

Analysis of photoinduced electron transfer in AppA

Nadtanet Nunthaboot, F. Tanaka, S. Kokpol, 2009 .

Relationship between rate of photoinduced electron transfer and hydrogen bonding chain of tyrosine-glutamine-flavin in flavin photoreceptors: Global analyses among four TePixDs and three AppAs

Nadtanet Nunthaboot, F. Tanaka, Kiattisak Lugsanangarm, 2013 .

Time-resolved Stokes shift in proteins with continuum model: Slow dynamics in proteins

P. Chaiyen, Nadtanet Nunthaboot, N. Mataga, 2010 .

Simultaneous analyses of fluorescence decay and anisotropy decay in green fluorescent protein dimer from jellyfish Clytia gregaria: FRET and Molecular dynamics simulation

A. Visser, J. Borst, Nadtanet Nunthaboot, 2021, Journal of Photochemistry and Photobiology A: Chemistry.

Molecular insights into complex formation between scandenin and various types of β-cyclodextrin

T. Rungrotmongkol, Nadtanet Nunthaboot, B. Nutho, 2021, Journal of Molecular Liquids.

Protein dynamics of five FMN binding protein isomers revealed by residue electrostatic energies between ionic residues: correlation coefficients

Nadtanet Nunthaboot, F. Tanaka, Kiattisak Lugsanangarm, 2020, Chemical Papers.

Theoretical analyses of the fluorescence lifetimes of the D-amino acid oxidase–benzoate complex dimer from porcine kidney: molecular dynamics simulation and photoinduced electron transfer

Nadtanet Nunthaboot, F. Tanaka, Kiattisak Lugsanangarm, 2014 .

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.

Quantitative Analysis and In Silico Molecular Docking Screening for Acetylcholinesterase Inhibitor and ADME Prediction of Coumarins and Carbazole Alkaloids from Clausena harmandiana

Nadtanet Nunthaboot, S. Tadtong, P. Puthongking, 2021, Records of Natural Products.

Mechanism of photoinduced electron transfer from tyrosine to the excited flavin in the flavodoxin from Helicobacter pylori. A comparative study with the flavodoxin and flavin mononucleotide binding protein from Desulfovibrio vulgaris (Miyazaki F)

Nadtanet Nunthaboot, F. Tanaka, T. Nakanishi, 2013 .

Heterogeneous subunit structures in the pyranose 2-oxidase homotetramer revealed by theoretical analysis of the rates of photoinduced electron transfer from a tryptophan to the excited flavin

Nadtanet Nunthaboot, F. Tanaka, Kiattisak Lugsanangarm, 2015 .

Structural heterogeneity among four subunits in pyranose 2-oxidase: A molecular dynamics simulation study

Nadtanet Nunthaboot, F. Tanaka, Kiattisak Lugsanangarm, 2014 .

Equivalence between inverted regions of the energy gap law and inverted regions of donor–acceptor distances in photoinduced electron transfer processes in flavoproteins

Nadtanet Nunthaboot, F. Tanaka, H. Chosrowjan, 2021, RSC advances.

Effects of protein association on the rates of photoinduced electron transfer from tryptophan residues to excited flavin in medium-chain acyl-Co A dehydrogenase. Molecular dynamics simulation

Nadtanet Nunthaboot, F. Tanaka, Kiattisak Lugsanangarm, 2021 .

Comparative Study on the Mechanism of Photoinduced Electron Transfer from Tryptophan 168 to Excited Flavin in T169S and Wild-type Pyranose 2-Oxidase

Nadtanet Nunthaboot, F. Tanaka, Kiattisak Lugsanangarm, 2019, ACS Omega.

Dynamics of the protein structure of T169S pyranose 2‐oxidase in solution: Molecular dynamics simulation

Nadtanet Nunthaboot, F. Tanaka, Kiattisak Lugsanangarm, 2017, Proteins.

Conformational difference between two subunits in flavin mononucleotide binding protein dimers from Desulfovibrio vulgaris (MF): molecular dynamics simulation

Nadtanet Nunthaboot, Sirirat Kokpol, Takeshi Nakanishi, 2016, Comput. Biol. Chem..

Structural basis for the temperature-induced transition of D-amino acid oxidase from pig kidney revealed by molecular dynamic simulation and photo-induced electron transfer.

Nadtanet Nunthaboot, F. Tanaka, Kiattisak Lugsanangarm, 2012, Physical chemistry chemical physics : PCCP.

Simultaneous analysis of ultrafast fluorescence decays of FMN binding protein and its mutated proteins by molecular dynamic simulation and electron transfer theory.

Nadtanet Nunthaboot, N. Mataga, F. Tanaka, 2008, The journal of physical chemistry. B.

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.

Mechanism of photoinduced electron transfer from tryptophanes to the excited isoalloxazine in animal-like cryptochrome from Chlamydomonas reinhardtii: Molecular dynamics simulation and molecular orbital studies

Nadtanet Nunthaboot, F. Tanaka, H. Chosrowjan, 2023, Journal of Photochemistry and Photobiology A: Chemistry.

Hybrid quantum mechanical/molecular mechanical molecular dynamics simulations of HIV-1 integrase/inhibitor complexes.

J. Briggs, Nadtanet Nunthaboot, J. Ebalunode, 2007, Biophysical journal.

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.

Theoretical study on the HIV-1 integrase inhibitor 1-(5-chloroindol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-propenone (5CITEP)

P. Wolschann, Nadtanet Nunthaboot, V. Parasuk, 2007 .

Non-equivalent conformations of D-amino acid oxidase dimer from porcine kidney between the two subunits. Molecular dynamics simulation and photoinduced electron transfer.

Nadtanet Nunthaboot, F. Tanaka, Kiattisak Lugsanangarm, 2014, Physical chemistry chemical physics : PCCP.

Role of the electrostatic energy between the photo-products and ionic groups on the photoinduced electron transfer rates from aromatic amino acids to the excited flavin in five single-point substitution isoforms of the charged amino acid residue-13 in the FMN-binding protein

Nadtanet Nunthaboot, F. Tanaka, Kiattisak Lugsanangarm, 2015 .

Theoretical Analyses of Photoinduced Electron Transfer from Aromatic Amino Acids to the Excited Flavins in Some Flavoproteins

Nadtanet Nunthaboot, F. Tanaka, Kiattisak Lugsanangarm, 2012 .