QM/MM modeling of the hydrolysis and transfructosylation reactions of fructosyltransferase from Aspergillus japonicas, an enzyme that produces prebiotic fructooligosaccharide
Assoc. Prof. Dr. Jitrayut Jitonnom
Journal
2017
Detail
Title:
QM/MM modeling of the hydrolysis and transfructosylation reactions of fructosyltransferase from Aspergillus japonicas, an enzyme that produces prebiotic fructooligosaccharide
Author:
Assoc. Prof. Dr. Jitrayut Jitonnom
Reference:
J Jitonnom, JR Ketudat-Cairns, S Hannongbua. QM/MM modeling of the hydrolysis and transfructosylation reactions of fructosyltransferase from Aspergillus japonicas, an enzyme that produces prebiotic fructooligosaccharide;79:175-184
Journal Title:
National / International:
International
Published:
Published
Vol.:
79
Issue No.:
Number.:
From Page.:
175
To Page.:
184
DOI no.:
https://doi.org/10.1016/j.jmgm.2017.11.010
Accepted date..:
2017-09-19
Url:
2
Theoretical studies on aluminum trialkoxide-initiated lactone ring-opening polymerizations: Roles of alkoxide substituent and monomer ring structure
Assoc. Prof. Dr. Jitrayut Jitonnom
Journal
2016
Detail
Title:
Theoretical studies on aluminum trialkoxide-initiated lactone ring-opening polymerizations: Roles of alkoxide substituent and monomer ring structure
Author:
Assoc. Prof. Dr. Jitrayut Jitonnom
Reference:
Jitonnom J, Molloy R, Punyodom W, Meelua W. Theoretical studies on aluminum trialkoxide-initiated lactone ring-opening polymerizations: Roles of alkoxide substituent and monomer ring structure. Computational and Theoretical Chemistry2016;1097:25-32.
Journal Title:
National / International:
International
Published:
Published
Vol.:
1097
Issue No.:
Number.:
From Page.:
25
To Page.:
32
DOI no.:
https://doi.org/10.1016/j.comptc.2016.10.009
Accepted date..:
2016-10-12
Url:
3
Low-energy plasma immersion ion implantation modification of bacteria to enhance hydrolysis of biomass materials
Assoc. Prof. Dr. Jitrayut Jitonnom
Journal
2016
Detail
Title:
Low-energy plasma immersion ion implantation modification of bacteria to enhance hydrolysis of biomass materials
Author:
Assoc. Prof. Dr. Jitrayut Jitonnom
Reference:
Anuntalabhochai S, Sangwijit K, Jitonnom J, Pitakrattananukool S, Yu LD. Low-energy plasma immersion ion implantation modification of bacteria to enhance hydrolysis of biomass materials. Surface and Coatings Technology2016;306:336-340.
Journal Title:
National / International:
International
Published:
Published
Vol.:
306
Issue No.:
Number.:
From Page.:
336
To Page.:
340
DOI no.:
https://doi.org/10.1016/j.surfcoat.2016.07.068
Accepted date..:
Url:
4
Catalytic oxidation of glucose with hydrogen peroxide and colloidal gold as pseudo-homogenous catalyst: A combined experimental and theoretical investigation
Assoc. Prof. Dr. Jitrayut Jitonnom
Journal
2016
Detail
Title:
Catalytic oxidation of glucose with hydrogen peroxide and colloidal gold as pseudo-homogenous catalyst: A combined experimental and theoretical investigation
Author:
Assoc. Prof. Dr. Jitrayut Jitonnom
Reference:
J Jitonnom, C Sontag. Catalytic oxidation of glucose with hydrogen peroxide and colloidal gold as pseudo-homogenous catalyst: A combined experimental and theoretical investigation;43:825-833
Journal Title:
National / International:
International
Published:
Published
Vol.:
43
Issue No.:
Number.:
From Page.:
825
To Page.:
833
DOI no.:
http://epg.science.cmu.ac.th/ejournal/
Accepted date..:
2014-04-25
Url:
5
Synthesis, growth, structural, optical, luminescence, surface and HOMO LUMO analysis of 2-[2-(4-cholro-phenyl)-vinyl]-1-methylquinolinium naphthalene-2-sulfonate organic single crystals grown by a slow evaporation technique
Assoc. Prof. Dr. Jitrayut Jitonnom
Journal
2016
Detail
Title:
Synthesis, growth, structural, optical, luminescence, surface and HOMO LUMO analysis of 2-[2-(4-cholro-phenyl)-vinyl]-1-methylquinolinium naphthalene-2-sulfonate organic single crystals grown by a slow evaporation technique
Author:
Assoc. Prof. Dr. Jitrayut Jitonnom
Reference:
S Karthigha, S Kalainathan, K Uma Maheswara Rao, F Hamada, M Yamada, Y Kondo. Synthesis, growth, structural, optical, luminescence, surface and HOMO LUMO analysis of 2-[2-(4-cholro-phenyl)-vinyl]-1-methylquinolinium naphthalene-2-sulfonate organic single crystals grown by a slow evaporation technique ;436:113-124
Journal Title:
National / International:
International
Published:
Published
Vol.:
436
Issue No.:
Number.:
From Page.:
113
To Page.:
124
DOI no.:
https://doi.org/10.1016/j.jcrysgro.2015.11.028
Accepted date..:
2015-11-29
Url:
6
A DFT study of the unusual substrate-assisted mechanism of Serratia marcescens chitinase B reveals the role of solvent and mutational effect on catalysis
Assoc. Prof. Dr. Jitrayut Jitonnom
Journal
2015
Detail
Title:
A DFT study of the unusual substrate-assisted mechanism of Serratia marcescens chitinase B reveals the role of solvent and mutational effect on catalysis
Author:
Assoc. Prof. Dr. Jitrayut Jitonnom
Reference:
J Jitonnom, C Sattayanon, N Kungwan, S Hannongbua. A DFT study of the unusual substrate-assisted mechanism of Serratia marcescens chitinase B reveals the role of solvent and mutational effect on catalysis;56:53-59
Journal Title:
National / International:
International
Published:
Published
Vol.:
56
Issue No.:
Number.:
From Page.:
53
To Page.:
59
DOI no.:
https://doi.org/10.1016/j.jmgm.2014.12.002
Accepted date..:
2014-12-08
Url:
7
Effects of active site cleft residues on oligosaccharide binding, hydrolysis, and glycosynthase activities of rice BG lu1 and its mutants
Assoc. Prof. Dr. Jitrayut Jitonnom
Journal
2014
Detail
Title:
Effects of active site cleft residues on oligosaccharide binding, hydrolysis, and glycosynthase activities of rice BG lu1 and its mutants
Author:
Assoc. Prof. Dr. Jitrayut Jitonnom
Reference:
Ketudat Cairns R J, Pengthaisong S. Effects of active site cleft residues on oligosaccharide binding, hydrolysis, and glycosynthase activities of rice BG lu1 and its mutants. Protein Science 2014;23:1738-1752.
Journal Title:
National / International:
International
Published:
Published
Vol.:
23
Issue No.:
12
Number.:
From Page.:
1738
To Page.:
1752
DOI no.:
10.1002/pro.2556
Accepted date..:
2014-09-22
Url:
8
Theoretical study on the mechanism and kinetics of ring-opening polymerization of cyclic esters initiated by tin(II) n-butoxide
Assoc. Prof. Dr. Jitrayut Jitonnom
Journal
2014
Detail
Title:
Theoretical study on the mechanism and kinetics of ring-opening polymerization of cyclic esters initiated by tin(II) n-butoxide
Author:
Assoc. Prof. Dr. Jitrayut Jitonnom
Reference:
Sattayanon C, Sontising W, Jitonnom J, Meepowpan P, Punyodom W, Kungwan N. Theoretical study on the mechanism and kinetics of ring-opening polymerization of cyclic esters initiated by tin(II) n-butoxide. 2014/9/15; 1044. 29-35.
Journal Title:
National / International:
International
Published:
Published
Vol.:
1044
Issue No.:
Number.:
From Page.:
29
To Page.:
35
DOI no.:
https://doi.org/10.1016/j.comptc.2014.06.008
Accepted date..:
2014-06-11
Url:
9
QM/MM Free-Energy Simulations of Reaction in Serratia marcescens Chitinase B Reveal the Protonation State of Asp142 and the Critical Role of Tyr214
Assoc. Prof. Dr. Jitrayut Jitonnom
Journal
2014
Detail
Title:
QM/MM Free-Energy Simulations of Reaction in Serratia marcescens Chitinase B Reveal the Protonation State of Asp142 and the Critical Role of Tyr214
Author:
Assoc. Prof. Dr. Jitrayut Jitonnom
Reference:
Jitonnom J, Limb MA, Mulholland AJ. QM/MM Free-Energy Simulations of Reaction in Serratia marcescens Chitinase B Reveal the Protonation State of Asp142 and the Critical Role of Tyr214. 2014/5/8; 118. 18. 4771-4783.
Journal Title:
National / International:
International
Published:
Published
Vol.:
118
Issue No.:
18
Number.:
From Page.:
4771
To Page.:
4783
DOI no.:
https://doi.org/10.1021/jp500652x
Accepted date..:
Url:
10
Applications of molecular dynamics simulation techniques in protein science
Assoc. Prof. Dr. Jitrayut Jitonnom
Journal
2014
Detail
Title:
Applications of molecular dynamics simulation techniques in protein science
Author:
Assoc. Prof. Dr. Jitrayut Jitonnom
Reference:
J. Jitrayut.Applications of molecular dynamics simulation techniques in protein science,Naresuan Phayao Journal, 7(1) 2014;
Journal Title:
National / International:
National
Published:
Published
Vol.:
7
Issue No.:
1
Number.:
From Page.:
4
To Page.:
16
DOI no.:
Accepted date..:
2014-01-01
Url:
11
Effects of silicon-bridge and π-ligands on the electronic structures and related properties of dimethyl zirconocene polymerization catalysts: A comparative theoretical study
Assoc. Prof. Dr. Jitrayut Jitonnom
Journal
2014
Detail
Title:
Effects of silicon-bridge and π-ligands on the electronic structures and related properties of dimethyl zirconocene polymerization catalysts: A comparative theoretical study
Author:
Assoc. Prof. Dr. Jitrayut Jitonnom
Reference:
Jitonnom J, Meelua W. Effects of silicon-bridge and π-ligands on the electronic structures and related properties of dimethyl zirconocene polymerization catalysts: A comparative theoretical study. Chiang Mai Journal of Science2014; 41(5-2):1220-1229.
Theoretical Investigation on the Electronic and Optical Properties of Poly(fluorenevinylene) Derivatives as Light-Emitting Materials
Assoc. Prof. Dr. Jitrayut Jitonnom
Journal
2011
Detail
Title:
Theoretical Investigation on the Electronic and Optical Properties of Poly(fluorenevinylene) Derivatives as Light-Emitting Materials
Author:
Assoc. Prof. Dr. Jitrayut Jitonnom
Reference:
Yakhanthip T, Kungwan N, Jitonnom J, Anuragudom P, Jungsuttiwong S, Hannongbua S. Theoretical Investigation on the Electronic and Optical Properties of Poly(fluorenevinylene) Derivatives as Light-Emitting Materials. 2011/1/1;
Journal Title:
National / International:
International
Published:
Published
Vol.:
2011
Issue No.:
Number.:
From Page.:
To Page.:
DOI no.:
https://doi.org/10.1155/2011/570103
Accepted date..:
2011-06-10
Url:
17
Quantum Mechanics/Molecular Mechanics Modeling of Substrate-Assisted Catalysis in Family 18 Chitinases: Conformational Changes and the Role of Asp142 in Catalysis in ChiB
Assoc. Prof. Dr. Jitrayut Jitonnom
Journal
2011
Detail
Title:
Quantum Mechanics/Molecular Mechanics Modeling of Substrate-Assisted Catalysis in Family 18 Chitinases: Conformational Changes and the Role of Asp142 in Catalysis in ChiB
Author:
Assoc. Prof. Dr. Jitrayut Jitonnom
Reference:
Jitonnom J, Lee VS, Nimmanpipug P, Rowlands HA, Mulholland AJ. Quantum Mechanics/Molecular Mechanics Modeling of Substrate-Assisted Catalysis in Family 18 Chitinases: Conformational Changes and the Role of Asp142 in Catalysis in ChiB. 2011/5/31; 50. 21. 4697-4711.
Journal Title:
National / International:
International
Published:
Published
Vol.:
50
Issue No.:
21
Number.:
From Page.:
4697
To Page.:
4711
DOI no.:
https://doi.org/10.1021/bi101362g
Accepted date..:
Url:
18
Hybrid QM/MM study on the deglycosylation step of chitin hydrolysis catalysed by chitinase B from Serratia marcescens
Assoc. Prof. Dr. Jitrayut Jitonnom
Journal
2011
Detail
Title:
Hybrid QM/MM study on the deglycosylation step of chitin hydrolysis catalysed by chitinase B from Serratia marcescens
Author:
Assoc. Prof. Dr. Jitrayut Jitonnom
Reference:
Jitonnom J, Mulholland J A, Nimmanpipug P., et al. Hybrid QM/MM study on the deglycosylation step of chitin hydrolysis catalysed by chitinase B from Serratia marcescens. Maejo International Journal of Science and Technology 2011;5:47.
Journal Title:
National / International:
International
Published:
Published
Vol.:
5
Issue No.:
1
Number.:
From Page.:
To Page.:
47
DOI no.:
Accepted date..:
2011-02-13
Url:
19
Influence of metal cofactors and water on the catalytic mechanism of creatininase-creatinine in aqueous solution from molecular dynamics simulation and quantum study
Assoc. Prof. Dr. Jitrayut Jitonnom
Journal
2010
Detail
Title:
Influence of metal cofactors and water on the catalytic mechanism of creatininase-creatinine in aqueous solution from molecular dynamics simulation and quantum study
Author:
Assoc. Prof. Dr. Jitrayut Jitonnom
Reference:
Jitonnom J, Nimmanpipug P, Kodchakorn K., et al. Influence of metal cofactors and water on the catalytic mechanism of creatininase-creatinine in aqueous solution from molecular dynamics simulation and quantum study. Journal of computer-aided molecular design 2010; 24:879-886.
Journal Title:
National / International:
International
Published:
Published
Vol.:
24
Issue No.:
10
Number.:
From Page.:
879
To Page.:
886
DOI no.:
Accepted date..:
2010-10-01
Url:
20
Pairwise decomposition of residue interaction energies of single chain Fv with HIV-1 p17 epitope variants
Assoc. Prof. Dr. Jitrayut Jitonnom
Journal
2009
Detail
Title:
Pairwise decomposition of residue interaction energies of single chain Fv with HIV-1 p17 epitope variants
Author:
Assoc. Prof. Dr. Jitrayut Jitonnom
Reference:
Lee VS, Tue-ngeun P, Nangola S, Kitidee K, Jitonnom J, Nimmanpipug P, Jiranusornkul S, Tayapiwatana C. Pairwise decomposition of residue interaction energies of single chain Fv with HIV-1 p17 epitope variants. 2010/2/1; 47. 5. 982-990.