Hannongbua, S. : rechercher sur Z-Library

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1

Recent Advances in NNRTI Design: Computer-Aided Molecular Design Approaches

Pungpo, Pornpan, Punkvang, Auradee, Saparpakorn, Patchreenart, Wolschann, Peter, Hannongbua, Supa

Journal:

Current Computer - Aided Drug Design

Année:

2009

Langue:

english

Fichier:

PDF, 2.03 MB

english, 2009

2

In-Silico ADME Models: A General Assessment of their Utility in Drug Discovery Applications

Paul Gleeson, M., Hersey, Anne, Hannongbua, Supa

Journal:

Current Topics in Medicinal Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 486 KB

english, 2011

3

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

Thanyada Rungrotmongkol, Panita Decha, Pornthep Sompornpisut, Maturos Malaisree, Pathumwadee Intharathep, Nadtanet Nunthaboot, Thanyarat Udommaneethanakit, Ornjira Aruksakunwong, Supot Hannongbua

Journal:

Proteins: Structure, Function, and Bioinformatics

Année:

2009

Langue:

english

Fichier:

PDF, 243 KB

english, 2009

4

Roles of key residues specific to cyclooxygenase II: an ONIOM study

Darinee Sae-Tang, Prasat Kittakoop, Supa Hannongbua

Journal:

Monatshefte für Chemie - Chemical Monthly

Année:

2009

Langue:

english

Fichier:

PDF, 377 KB

english, 2009

5

Theoretical investigation on nevirapine and HIV-1 reverse transcriptase binding site interaction, based on ONIOM method

Mayuso Kuno, Supa Hannongbua, Keiji Morokuma

Journal:

Chemical Physics Letters

Année:

2003

Langue:

english

Fichier:

PDF, 348 KB

english, 2003

6

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

Thanyada Rungrotmongkol, Nadtanet Nunthaboot, Maturos Malaisree, Nopporn Kaiyawet, Pathumwadee Yotmanee, Arthitaya Meeprasert, Supot Hannongbua

Journal:

Journal of Molecular Graphics and Modelling

Année:

2010

Langue:

english

Fichier:

PDF, 538 KB

english, 2010

7

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

Uthumporn Arsawang, Oraphan Saengsawang, Thanyada Rungrotmongkol, Purinchaya Sornmee, Kitiyaporn Wittayanarakul, Tawun Remsungnen, Supot Hannongbua

Journal:

Journal of Molecular Graphics and Modelling

Année:

2011

Langue:

english

Fichier:

PDF, 372 KB

english, 2011

8

Binding of huperzine A and galanthamine to acetylcholinesterase, based on ONIOM method

Nareerat Kitisripanya, Pachareenart Saparpakorn, Peter Wolschann, Supa Hannongbua

Journal:

Nanomedicine: Nanotechnology, Biology and Medicine

Année:

2011

Langue:

english

Fichier:

PDF, 1.13 MB

english, 2011

9

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

Panita Kongsune, Thanyada Rungrotmongkol, Nadtanet Nunthaboot, Pathumwadee Yotmanee, Pornthep Sompornpisut, Yong Poovorawan, Peter Wolschann, Supot Hannongbua

Journal:

Monatshefte für Chemie - Chemical Monthly

Année:

2012

Langue:

english

Fichier:

PDF, 346 KB

english, 2012

10

Study of the removal of a disperse dye stain from a polyester/elastane blend

Potjanart Suwanruji, Lanlalit Chuaybamrung, Jantip Suesat, Supa Hannongbua, John A Taylor, Duncan A S Phillips

Journal:

Coloration Technology

Année:

2012

Langue:

english

Fichier:

PDF, 176 KB

english, 2012

11

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

Thuesombat, Pakvirun, Hannongbua, Supot, Akasit, Sanong, Chadchawan, Supachitra

Journal:

Ecotoxicology and Environmental Safety

Année:

2014

Langue:

english

Fichier:

PDF, 5.75 MB

english, 2014

12

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

Ratanasak, Manussada, Rungrotmongkol, Thanyada, Saengsawang, Oraphan, Hannongbua, Supot, Parasuk, Vudhichai

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 1001 KB

english, 2015

13

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

Kruawan, Sutiam, Ratanasak, Manussada, Chanajaree, Rungroj, Rungrotmongkol, Thanyada, Saengsawang, Oraphan, Parasuk, Vudhichai, Kungwan, Nawee, Hannongbua, Supot

Journal:

Computational and Theoretical Chemistry

Année:

2017

Langue:

english

Fichier:

PDF, 1.83 MB

english, 2017

14

Importance of ZIF-90 Lattice Flexibility on Diffusion, Permeation, and Lattice Structure for an adsorbed H 2 /CH 4 Gas Mixture: A Re-Examination by Gibbs Ensemble Monte Carlo and Molecular Dynamics Simulations

Chokbunpiam, T., Fritzsche, S., Caro, J., Chmelik, C., Janke, W., Hannongbua, S.

Journal:

The Journal of Physical Chemistry C

Année:

2017

Langue:

english

Fichier:

PDF, 3.85 MB

english, 2017

15

Aggregation-induced emission enhancement (AIEE) of N,N′-Bis(Salicylidene)-p-Phenylenediamine Schiff base: Synthesis, photophysical properties and its DFT studies

Miengmern, Nichakan, Koonwong, Amonchat, Sriyab, Suwannee, Suramitr, Anwaraporn, Poo-arporn, Rungtiva P., Hannongbua, Supa, Suramitr, Songwut

Journal:

Journal of Luminescence

Année:

2019

Langue:

english

Fichier:

PDF, 3.51 MB

english, 2019

16

Structural and Spectroscopic Properties of Metal Complexes with Ruhemann’s Purple Compounds Calculated Using Density Functional Theory

Promkatkaew, Malinee, Boonsri, Pornthip, Hannongbua, Supa

Journal:

Key Engineering Materials

Année:

2019

Fichier:

PDF, 1.78 MB

2019

17

New Racemosol Derivatives as Potent Cyclooxygenase (COX) Inhibitors

Saiphon Songarsa, Shuleewan Rajviroongit, Darinee Sae-Tang, Supa Hannongbua, Kanyawim Kirtikara, Prasat Kittakoop

Journal:

Chemistry & Biodiversity

Année:

2005

Langue:

english

Fichier:

PDF, 392 KB

english, 2005

18

ChemInform Abstract: 3D-Quantitative Structure—Activity Relationships of HEPT Derivatives as HIV-1 Reverse Transcriptase Inhibitors, Based on ab initio Calculations.

Supa Hannongbua, Kanda Nivesanond, Luckhana Lawtrakul, Pornpan Pungpo, Peter Wolschann

Journal:

Année:

2001

Fichier:

PDF, 26 KB

2001

19

Structural Flexibility of Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitor: 9-Cl TIBO as Explained by Potential Energy Surface and 13C and 1H NMR Calculations, Based on ab initio and Density Functional Study.

Suwipa Saen-oon, Supa Hannongbua, Peter Wolschann

Journal:

Année:

2003

Fichier:

PDF, 57 KB

2003

20

A Study of the Binding Energies of Efavirenz to Wild-Type and K103N/Y181C HIV-1 Reverse Transcriptase Based on the ONIOM Method

Pensri Srivab, Supa Hannongbua

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 697 KB

english, 2008

21

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

Rungtiwa Chidthong, Supa Hannongbua, Adelia J. A. Aquino, Peter Wolschann, Hans Lischka

Journal:

Journal of Computational Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 164 KB

english, 2007

22

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

Kitiyaporn Wittayanarakul, Supot Hannongbua, Michael Feig

Journal:

Journal of Computational Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 531 KB

english, 2008

23

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

Rungtiwa Chidthong, Supa Hannongbua

Journal:

Journal of Computational Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 445 KB

english, 2010

24

Investigation of excited-state properties of fluorene–thiophene oligomers by the SAC-CI theoretical approach

Potjaman Poolmee, Supa Hannongbua

Journal:

Journal of Computational Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 419 KB

english, 2010

25

Inhibitory effects of 2-substituted-1-naphthol derivatives on cyclooxygenase I and II

Boonsong Kongkathip, Chak Sangma, Kanyawim Kirtikara, Suwaporn Luangkamin, Komkrit Hasitapan, Nipa Jongkon, Supa Hannongbua, Ngampong Kongkathip

Journal:

Bioorganic & Medicinal Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 408 KB

english, 2005

26

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

Sriprajak Krongsuk, Teerakiat Kerdcharoen, Michael Kiselev, Supot Hannongbua

Journal:

Chemical Physics

Année:

2006

Langue:

english

Fichier:

PDF, 546 KB

english, 2006

27

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

O. Saengsawang, A. Schüring, T. Remsungnen, S. Hannongbua, D.A. Newsome, A.J. Dammers, M.O. Coppens, S. Fritzsche

Journal:

Chemical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 432 KB

english, 2010

28

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

Veena S. Nukoolkarn, Suwipa Saen-oon, Thanyada Rungrotmongkol, Supot Hannongbua, Kornkanok Ingkaninan, Khanit Suwanborirux

Journal:

Bioorganic & Medicinal Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 736 KB

english, 2008

29

Comment on “Another look at the molecular mechanism of the resistance of H5N1 influenza A virus neuraminidase (NA) to oseltamivir (OTV)”

T. Rungrotmongkol, M. Malaisree, T. Udommaneethanakit, S. Hannongbua

Journal:

Biophysical Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 259 KB

english, 2009

30

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

Thanyada Rungrotmongkol, Thanyarat Udommaneethanakit, Maturos Malaisree, Nadtanet Nunthaboot, Pathumwadee Intharathep, Pornthep Sompornpisut, Supot Hannongbua

Journal:

Biophysical Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 549 KB

english, 2009

31

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

Chularat Iamsamai, Supot Hannongbua, Uracha Ruktanonchai, Apinan Soottitantawat, Stephan T. Dubas

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 185 KB

english, 2010

32

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

Chularat Iamsamai, Apinan Soottitantawat, Uracha Ruktanonchai, Supot Hannongbua, Stephan Thierry Dubas

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 979 KB

english, 2011

33

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

Chinapong Kritayakornupong, Supot Hannongbua

Journal:

Chemical Physics

Année:

2007

Langue:

english

Fichier:

PDF, 1.20 MB

english, 2007

34

Structural and electronic properties of poly(fluorene–vinylene) copolymer and its derivatives: Time-dependent density functional theory investigation

W. Meeto, S. Suramitr, S. Vannarat, S. Hannongbua

Journal:

Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 470 KB

english, 2008

35

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

Atchara Pianwanit, Chinapong Kritayakornupong, Arthit Vongachariya, Nattaya Selphusit, Tanawut Ploymeerusmee, Tawun Remsungnen, Duangamol Nuntasri, Siegfried Fritzsche, Supot Hannongbua

Journal:

Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 393 KB

english, 2008

36

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

A Loisruangsin, S Fritzsche, S Hannongbua

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 305 KB

english, 2004

37

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

Krisana Siraleartmukul, Khatcharin Siriwong, Tawun Remsungnen, Nongnuj Muangsin, Werasak Udomkichdecha, Supot Hannongbua

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 539 KB

english, 2004

38

Particular interaction between efavirenz and the HIV-1 reverse transcriptase binding site as explained by the ONIOM2 method

Peerapol Nunrium, Mayuso Kuno, Suwipa Saen-oon, Supa Hannongbua

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 220 KB

english, 2005

39

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

S. Fritzsche, T. Osotchan, A. Schüring, S. Hannongbua, J. Kärger

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 1.19 MB

english, 2005

40

ONIOM-BSSE scheme for H⋯π system and applications on HIV-1 reverse transcriptase

Mayuso Kuno, Rattapon Hongkrengkai, Supa Hannongbua

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 377 KB

english, 2006

41

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

Thanyada Rungrotmongkol, Uthumporn Arsawang, Chularat Iamsamai, Arthit Vongachariya, Stephan T. Dubas, Uracha Ruktanonchai, Apinan Soottitantawat, Supot Hannongbua

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 464 KB

english, 2011

42

Active site dynamics and combined quantum mechanics/molecular mechanics (QM/MM) modelling of a HIV-1 reverse transcriptase/DNA/dTTP complex

Thanyada Rungrotmongkol, Adrian J. Mulholland, Supa Hannongbua

Journal:

Journal of Molecular Graphics and Modelling

Année:

2007

Langue:

english

Fichier:

PDF, 837 KB

english, 2007

43

Insight into analysis of interactions of saquinavir with HIV-1 protease in comparison between the wild-type and G48V and G48V/L90M mutants based on QM and QM/MM calculations

Suwipa Saen-oon, Ornjira Aruksakunwong, Kittiyaporn Wittayanarakul, Pornthep Sompornpisut, Supot Hannongbua

Journal:

Journal of Molecular Graphics and Modelling

Année:

2007

Langue:

english

Fichier:

PDF, 836 KB

english, 2007

44

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

Vannajan S. Lee, Piyarat Nimmanpipug, Ornjira Aruksakunwong, Siriporn Promsri, Pornthep Sompornpisut, Supot Hannongbua

Journal:

Journal of Molecular Graphics and Modelling

Année:

2007

Langue:

english

Fichier:

PDF, 1.65 MB

english, 2007

45

Bridge water mediates nevirapine binding to wild type and Y181C HIV-1 reverse transcriptase—Evidence from molecular dynamics simulations and MM-PBSA calculations

Witcha Treesuwan, Supa Hannongbua

Journal:

Journal of Molecular Graphics and Modelling

Année:

2009

Langue:

english

Fichier:

PDF, 406 KB

english, 2009

46

QM methods in structure based design: Utility in probing protein–ligand interactions

M. Paul Gleeson, Supa Hannongbua, Duangkamol Gleeson

Journal:

Journal of Molecular Graphics and Modelling

Année:

2010

Langue:

english

Fichier:

PDF, 732 KB

english, 2010

47

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

Veena Nukoolkarn, Vannajan Sanghiran Lee, Maturos Malaisree, Ornjira Aruksakulwong, Supot Hannongbua

Journal:

Journal of Theoretical Biology

Année:

2008

Langue:

english

Fichier:

PDF, 588 KB

english, 2008

48

In vitro and in silico binding study of the peptide derived from HIV-1 CA-CTD and LysRS as a potential HIV-1 blocking site

Poonsap Na Nakorn, Witcha Treesuwan, Kiattawee Choowongkomon, Supa Hannongbua, Nonlawat Boonyalai

Journal:

Journal of Theoretical Biology

Année:

2011

Langue:

english

Fichier:

PDF, 1.45 MB

english, 2011

49

Hydrogen bonding in molecular recognition by HIV-1 protease

O. Aruksankunwong, S. Hannongbua, Peter Wolschann

Journal:

Journal of Molecular Structure

Année:

2006

Langue:

english

Fichier:

PDF, 249 KB

english, 2006

50

SAC–CI theoretical investigation on electronic structure of fluorene–thiophene oligomers

Potjaman Poolmee, Masahiro Ehara, Supa Hannongbua, Hiroshi Nakatsuji

Journal:

Année:

2005

Langue:

english

Fichier:

PDF, 458 KB

english, 2005