Teaching Staff
Dr. Luckhana Lawtrakul
Date Posted : 2022-01-04
Faculty
:
School of Bio-Chemical Engineering and Technology (BCET)
Name
:
Dr. Luckhana Lawtrakul
Position
:
Associate Professor
E-mail
:
[email protected]
Phone Rangsit
:
+66-2-986-9009, +66-2-986-9101, +66-2-564-3226
Phone Bangkadi
:
Phone Extension
:
2301
 Education


 Academic Awards


 Research Areas

Computer-aided molecular modeling and molecular design, Structure-activity relationships, Conformational analysis.
 Research Interests

Molecular modeling is a collective term that refers to theoretical methods and computational techniques to model or mimic the behavior of molecules. The techniques are used in the fields of computational chemistry and computational biology for studying molecular systems ranging from small chemical systems to large biological molecules. Currently, applications in the following areas are of special concern: Molecular dynamics (MD) simulations and quantum chemical calculations on the stability of guest-cyclodextrins inclusion complexes, and Quantitative Structure-Activity Relationship (QSAR) studies of DHFR inhibitors used for tuberculosis treatment.
Work Experiences


Theses Supervised

Doctoral Thesis Supervised
  • Ms.Ornin Srihakulung (2019) “The use of molecular modeling approaches to investigate molecular interactions in inclusion complexes of cyclodextrins”
  • Mr.Krit Inthajak (2018) “Antimalarial activity prediction of enantiomeric cycloguanil analogues using extremely randomized trees and particle swarm optimized-support vector regression intelligent approaches”
  • Ms.Pimonluck Sittikornpaiboon (2016) “Computer aided molecular modeling of anti-tuberculosis drugs”
  • Ms.Kanokthip Boonyarattanakalin (2012) “Computational studies on stability of drug-cyclodextrins inclusion complexes: solvation studies using molecular dynamics simulations”

Master Thesis Supervised
  • Ms.Ayomi Imalka Vidana Pathiranage (2023) “Antiapoptotic proteins as targets for bioactive compounds: structural parameters and molecular design”
  • Mr.Nat Triamchaisri (2023) “Computational methods for the interaction between cyclodextrins and natural compounds”
  • Mr.Sorrawee Chulurks (2020) “Preservation of nicotine and solanesol from tobacco by cyclodextrins nanoencapsulation”
  • Mr.Suriyawut Kulatee (2017) “Theoretical investigation of enantioselective ligand-host binding interactions”
  • Ms.Kulpavee Jitapunkul (2016) “ A particular mechanism of antiasthmatic activity of compounds isolated from Zingiber cassumunar Roxb. through computational chemistry approaches”
  • Mr.Sappakit Amonamarittakul (2012) “Study on properties of concrete containing fly ash with different properties”
  • Ms.Ratchaneekon Chingchit (2012) “Nanoencapsulation of antiviral agents by cyclodextrins molecular modeling approach”
  • Ms.Pimonluck Sittikornpaiboon (2012) “Molecular modeling investigations of inhibitors binding to M. tuberculosis dihydrofolate reductase”

List of Publications

International Journal Publications
  1. Jitapunkul, K., Deshsorn, K., Payakkachon, K., Chaisrithong, T., Lawtrakul, L., Iamprasertkun, P. Insights into heteroatom-doped graphene supercapacitor data through manual data separation and statistical analysis (2023) Journal of Physical Chemistry C, 127 (37), pp. 18316-18326.
  2. Deshsorn, K., Payakkachon, K., Chaisrithong, T., Jitapunkul, K., Lawtrakul, L., Iamprasertkun, P. Unlocking the full potential of heteroatom-doped graphene-based supercapacitors through stacking models and SHAP-guided optimization (2023) Journal of Chemical Information and Modeling, 63 (16), pp. 5077-5088.
  3. Triamchaisri, N., Toochinda, P., Lawtrakul, L. Structural investigation of beta-cyclodextrin complexes with cannabidiol and delta-9-tetrahydrocannabinol in 1:1 and 2:1 host-guest stoichiometry: molecular docking and density functional calculations (2023) International Journal of Molecular Sciences, 24 (2), art. no. 1525.
  4. Jitapunkul, K., Zhao, Y., Lawtrakul, L., Van Hove, M.A., Zhang, R. Rotations of F-ATPase and V-ATPase analyzed by a torque approach (2022) Journal of Biomolecular Structure and Dynamics, DOI: 10.1080/07391102.2022.2154847.
  5. Chulurks, S., Jitapunkul, K., Katanyutanon, S., Toochinda, P., Lawtrakul, L. Stability enhancement and skin permeation application of nicotine by forming inclusion complex with β-cyclodextrin and methyl-β-cyclodextrin (2021) Scientia Pharmaceutica, 89 (4), art. no. 43.
  6. Jitapunkul, K., Toochinda, P., Lawtrakul, L. Molecular dynamic simulation analysis on the inclusion complexation of plumbagin with β-cyclodextrin derivatives in aqueous solution (2021) Molecules, 26 (22), art. no. 6784.
  7. Poonphatanapricha, T., Katanyutanon, S., Jitapunkul, K., Lawtrakul, L., Toochinda, P.The preservation and enantiomeric selection of linalool by nanoencapsulation using cyclodextrins (2021) Scientia Pharmaceutica, 89 (3), art. no. 42.
  8. Katanyutanon, S., Samarasinghe, D., Lawtrakul, L., Toochinda, P. Catalytic activity enhancement of Cu-Zn-based catalyst for methanol steam reforming with magnetic inducement (2021) Catalysts, 11 (9), art. no. 1110.
  9. Vacharapong, P., Arayawate, S., Katanyutanon, S., Toochinda, P., Lawtrakul, L., Charojrochkul, S. Enhancement of Ni catalyst using CeO 2 –Al 2 O 3 support prepared with magnetic inducement for ESR (2020) Catalysts, 10 (11), art. no. 1357.
  10. Srihakulung, O., Triamchaisri, N., Toochinda, P., Lawtrakul, L. Theoretical study on ferrocenyl hydrazones inclusion complexes with β-cyclodextrin and its three methylated derivatives (2020) Journal of Inclusion Phenomena and Macrocyclic Chemistry, 98 (1-2), pp. 79-91.
  11. Vacharapong, P., Arayawate, S., Henpraserttae, S., Katanyutanon, S., Charojrochkul, S., Lawtrakul, L., Toochinda, P. Effect of magnetic inducement in preparation of Ni/Ce-doped Al 2 O 3 for ammonia decomposition (2019) ChemistrySelect, 4 (40), pp.11913-11919.
  12. Sinlikhitkul, N., Toochinda, P., Lawtrakul, L., Kuropakornpong, P., Itharat, A. Encapsulation of plumbagin using cyclodextrins to enhance plumbagin stability: computational simulation, preparation, characterization, and application (2019) Journal of Inclusion Phenomena and Macrocyclic Chemistry, 93 (3-4), pp. 229-243.
  13. Inthajak, K., Toochinda, P., Lawtrakul, L. Application of molecular docking and PSO–SVR intelligent approaches in antimalarial activity prediction of enantiomeric cycloguanil analogues (2018) SAR and QSAR in Environmental Research, 29 (12),pp. 957-974.
  14. Henpraserttae, S., Charojrochkul, S., Lawtrakul, L., Toochinda, P. Ni-based Catalysts for hydrogen production from ammonia decomposition: effect of dopants and urine application (2018) ChemistrySelect, 3 (42), pp. 11842-11850.
  15. Rathnayake, M., Chaireongsirikul, T., Svangariyaskul, A., Lawtrakul, L., Toochinda,P. Process simulation based life cycle assessment for bioethanol production from cassava, cane molasses, and rice straw (2018) Journal of Cleaner Production, 190, pp.24-35.
  16. Henpraserttae, S., Charojrochkul, S., Klysubun, W., Lawtrakul, L., Toochinda, P. Reduced temperature ammonia decomposition using Ni/Zr-doped Al 2 O 3 catalyst (2018) Catalysis Letters, 148 (6), pp. 1775-1783.
  17. Srihakulung, O., Maezono, R., Toochinda, P., Kongprawechnon, W., Intarapanich, A.,Lawtrakul, L. Host-guest interactions of plumbagin with β-cyclodextrin, dimethyl-β-cyclodextrin and hydroxypropyl-β-cyclodextrin: Semi-empirical quantum mechanical PM6 and PM7 methods (2018) Scientia Pharmaceutica, 86 (2), art. no. 20.
  18. Jitapunkul, K., Poachanukoon, O., Hannongbua, S., Toochinda, P., Lawtrakul, L. Simulation study of interactions between two bioactive components from Zingiber cassumunar and 5-lipoxygenase (2018) Cellular and Molecular Bioengineering, 11 (1), pp. 77-89.
  19. Khamsemanan, N., Nattee, C., Lawtrakul, L., Toochinda, P., Hannongbua, S. Predicting inhibition constants of antimalarial drug compounds using support vector regression (2018) Journal of Nonlinear and Convex Analysis, 19 (9), pp. 1555-1562.
  20. Kulatee, S., Toochinda, P., Suksangpanomrung, A., Lawtrakul, L. Theoretical investigation of the enantioselective complexations between pfDHFR and cycloguanil derivatives (2017) Scientia Pharmaceutica, 85 (4), art. no. 37.
  21. Inthajak, K., Khamsemanan, N., Nattee, C., Toochinda, P., Lawtrakul, L. A prediction approach for anti-HIV activity of HEPT compounds using random forest technique (2017) Monatshefte für Chemie - Chemical Monthly, 148 (10), pp. 1697-1709.
  22. Sittikornpaiboon, P., Toochinda, P., Lawtrakul, L. Structural and dynamics perspectives on the binding of substrate and inhibitors in Mycobacterium tuberculosis DHFR (2017) Scientia Pharmaceutica, 85 (3), art. no. 31.
  23. Nattee, C., Khamsemanan, N., Lawtrakul, L., Toochinda, P., Hannongbua, S. A novel prediction approach for antimalarial activities of trimethoprim, pyrimethamine, and cycloguanil analogues using extremely randomized trees (2017) Journal of Molecular Graphics and Modelling, 71, pp. 13-27.
  24. Sittikornpaiboon, P., Toochinda, P., Thongpanchang, C., Leartsakulpanich, U., Lawtrakul, L. Molecular docking study of Mycobacterium tuberculosis dihydrofolate reductase in complex with 2,4-diaminopyrimidines analogues (2016) Chiang Mai Journal of Science, 43 (5), pp. 931-945.
  25. Boonyarattanakalin, K., Viernstein, H., Wolschann, P., Lawtrakul, L. Influence of ethanol as a co-solvent in cyclodextrin inclusion complexation: A molecular dynamics study (2015) Scientia Pharmaceutica, 83 (2), pp. 387-399.
  26. Lawtrakul, L., Inthajak, K., Toochinda, P. Molecular calculations on β-cyclodextrin inclusion complexes with five essential oil compounds from Ocimum basilicum (sweet basil) (2014) ScienceAsia, 40 (2), pp. 145-151.
  27. Boonyarattanakalin, K., Wolschann, P., Toochinda, P., Lawtrakul, L. Molecular dynamics simulations of UC781-cyclodextrins inclusion complexes in aqueous solution (2012) European Journal of Pharmaceutical Sciences, 47 (4), pp. 752-758.
  28. Boonyarattanakalin, K.S., Wolschann, P., Lawtrakul, L. Molecular dynamics of β-CD in water/co-solvent mixtures (2011) Journal of Inclusion Phenomena and Macrocyclic Chemistry, 70 (3-4), pp. 279-290.
  29. Yodmalai, D., Sahamitmongkol, R., Tangtermsirikul, S., Lawtrakul, L. Carbonation resistance of concrete with crystalline material coating (2011) Magazine of Concrete Research, 63 (8), pp. 573-582.
  30. Prakasvudhisarn, C., Wolschann, P., Lawtrakul, L. Predicting complexation  thermodynamic parameters of β-cyclodextrin with chiral guests by using swarm intelligence and support vector machines (2009) International Journal of Molecular Sciences, 10 (5), pp. 2107-2121.
  31. Prakasvudhisarn, C., Lawtrakul, L. Feature set selection in QSAR of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio) thymine (HEPT) analogues by using swarm intelligence (2008) Monatshefte für Chemie - Chemical Monthly, 139 (3), pp. 197-211.
  32. Lawtrakul, L., Hannongbua, S. Molecular dynamics study on the unbinding of HBY 097 in the K103N mutant RT (2007) Monatshefte für Chemie - Chemical Monthly, 138 (10), pp. 1029-1034.
  33. Beyer, A., Lawtrakul, L., Pungpo, P., Wolschann, P. Structural aspects of non-nucleoside HIV-1 reverse transcriptase inhibition (2007) Current Computer-Aided Drug Design, 3 (2), pp. 87-100.
  34. Lawtrakul, L., Prakasvudhisarn, C. Correlation studies of HEPT derivatives using swarm intelligence and support vector machines (2005) Monatshefte für Chemie - Chemical Monthly, 136 (9), pp. 1681-1691.
  35. Lawtrakul, L., Beyer, A., Hannongbua, S., Wolschann, P. Quantitative Structural Rearrangement of HIV-1 reverse transcriptase on binding to non-nucleoside inhibitors (2004) Monatshefte für Chemie - Chemical Monthly, 135 (8), pp. 1033-1046.
  36. Beyer, A., Lawtrakul, L., Hannongbua, S., Wolschann, P. Systematic investigation of non-nucleoside inhibitors of HIV-1 reverse transcriptase (NNRTIs) (2004) Monatshefte für Chemie - Chemical Monthly, 135 (8), pp. 1047-1059.
  37. Lawtrakul, L., Viernstein, H., Wolschann, P. Molecular dynamics simulations of β-cyclodextrin in aqueous solution (2003) International Journal of Pharmaceutics, 256 (1-2), pp. 33-41.
  38. Hannongbua, S., Nivesanond, K., Lawtrakul, L., Pungpo, P., Wolschann, P. 3D-quantitative structure-activity relationships of HEPT derivatives as HIV-1 reverse transcriptase inhibitors, based on ab initio calculations (2001) Journal of Chemical Information and Computer Sciences, 41 (3), pp. 848-855.
  39. Ecker, G., Kalchhauser, H., Lawtrakul, L., Wolschann, P. Levcromakalim revisited:NMR spectroscopic and theoretical investigations (2001) Monatshefte für Chemie - Chemical Monthly, 132 (3), pp. 373-386.
  40. Klein, C.Th., Lawtrakul, L., Hannongbua, S., Wolschann, P. Accessible charges in structure-activity relationships. A study on HEPT- based HIV-1 RT inhibitors (2000) Scientia Pharmaceutica, 68 (1), pp. 25-40.
  41. Lawtrakul, L., Hannongbua, S. Quantitative structure-activity relationships of HIV-1 RT inhibitors in the class of 1-[(2-hydroxyethoxy)methyl]-5,6-substituted thymine [HEPT] analogues (1999) Scientia Pharmaceutica, 67 (1), pp. 43-56.
  42. Lawtrakul, L., Hannongbua, S., Beyer, A., Wolschann, P. Conformational study of the HIV-1 reverse transcriptase inhibitor 1-[(2-hydroxyethoxy)methyl]-6- (phenylthio)thymine (HEPT) (1999) Biological Chemistry, 380 (2), pp. 265-267.
  43. Lawtrakul, L., Hannongbua, S., Beyer, A., Wolschann, P. Molecular calculations on the conformation of the HIV-1 reverse transcriptase inhibitor 1-((2- Hydroxyethoxy)methyl)-6-(phenylthio)thymine (HEPT) (1999) Monatshefte für Chemie - Chemical Monthly, 130 (11), pp. 1347-1363.
  44. Hannongbua, S., Lawtrakul, L., Sotriffer, C.A., Rode, B.M. Comparative molecular field analysis of HIV-1 reverse transcriptase inhibitors in the class of 1[2-hydroxyethoxy)-methyl]-6(phenylthio)thymine (1996) Quantitative Structure-Activity Relationships, 15 (5), pp. 389-394.
  45. Hannongbua, S., Lawtrakul, L., Limtrakul, J. Structure-activity correlation study of HIV-1 inhibitors: electronic and molecular parameters (1996) Journal of Computer-Aided Molecular Design, 10 (2), pp. 145-152.

International Conferences
  1. Sinlikhitkul, N., Pataveepaisit, H., Noodang, W., Krissawong, A., Kulatee, S., Suksangpanomrung, A., Lawtrakul, L., and Toochinda, P. "Preservation of nicotine by nanoencapsulation technique using β-cyclodextrin" The Pure and Applied Chemistry International Conference 2018 (PACCON2018), 7-9 February 2017, Songkhla, Thailand.
  2. Charoenpinyoying, I., Sriyaphai, B., Kongdee, A., and Lawtrakul, L. "Molecular docking investigation on antimicrobial mechanism of plumbagin derivatives" The Pure and Applied Chemistry International Conference 2018 (PACCON2018), 7-9 February 2017, Songkhla, Thailand.
  3. Jitapunkul, K., Poachanukoon, O., Hannongbua, S., Toochinda, P., and Lawtrakul, L. "Molecular modelling of 5-lipoxygenase enzyme with antiasthmatic substances from Plai" The 21st International Annual Symposium on Computational Science and Engineering (ANSCSE 2017), 2-5 August 2017, Pathum Thani, Thailand.
  4. Kulatee, S., Toochinda, P., and Lawtrakul, L. "Enantioselectivity and enzyme-ligand docking studies of pfDHFR and cycloguanil compounds" The 21st International Annual Symposium on Computational Science and Engineering (ANSCSE 2017), 2-5 August 2017, Pathum Thani, Thailand.
  5. Mekjirawat, N., Praserth, P., Chockborvornpaisan, A., Kulatee, S., and Lawtrakul, L. "Molecular docking investigation of WR99210 analogues as novel M.tuberculosis DHFR inhibitors" The 21st International Annual Symposium on Computational Science and Engineering (ANSCSE 2017), August 2-5, 2017, Pathum Thani, Thailand.
  6. Srihakulung, O., Lawtrakul, L., Toochinda, P., Kongprawechnon, W., Intarapanich, A., and Maezono, R. "Theoretical investigation of molecular calculations on inclusion complexes of plumbagin with β-cyclodextrins" The 2017 4th Asian Conference  on Defence Technology (4th ACDT), November 29 - December 1,  2017; Tokyo, Japan.
  7. Sinlikhitkul, N., Quengdaeng, P., Thongpat, P., Hoontong, A., Lawtrakul, L., and Toochinda, P. "Preservation of plumbagin by using inclusion complex: freeze drying recovery of inclusion complex" The Pure and Applied Chemistry International Conference 2017 (PACCON2017), February 2-3, 2017; Bangkok, Thailand.
  8. Thongkhundam, S., Tantawiriya, A., Sodanil, J., Inthajak, K., Toochinda, P., and Lawtrakul L. "Molecular modeling of the chiral recognition of linalool enantiomers by beta-cyclodextrin" The Pure and Applied Chemistry International Conference 2017 (PACCON2017), February 2-3, 2017; Bangkok, Thailand.
  9. Jitapunkul, K., Poachanukoon, O., Toochinda, P., and Lawtrakul, L. "Molecular docking investigation on anti-asthmatic properties of natural compounds from Plai" The Pure and Applied Chemistry International Conference 2017 (PACCON2017), February 2-3, 2017; Bangkok, Thailand.
  10. Kulatee, S., Rengsomboon, C., Prasongporn, A., Jitapunkul, K., Sittikornpaiboon, P., and Lawtrakul, L. "Molecular mechanism of anti-acne activity of retinoic using computational chemistry approaches" The Pure and Applied Chemistry International Conference 2016 (PACCON 2016), February 9-11, 2016; Bangkok, Thailand.
  11. Chiewvanichakorn, R., Sinlapasertsakulwong, P., Smithipanon, E., Inthajak, K., and Lawtrakul, L. "Molecular mechanism of anti-acne activity of isotretinoin using computational chemistry approaches" The Pure and Applied Chemistry International Conference 2016 (PACCON 2016), February 9-11, 2016; Bangkok, Thailand.
  12. Sinlikhitkul, N., Tontiwachwuthikul, C., Aksornsri, T., Lawtrakul, L., Toochinda, P. "Preservation of plumbagin by nanoencapsulation technique using β-cyclodextrin" The Pure and Applied Chemistry International Conference 2016 (PACCON 2016), February 9-11, 2016; Bangkok, Thailand.
  13. Jitapunkul, K., Toochinda, P., and Lawtrakul, L. "Molecular docking and molecular dynamics simulation of 5-lipoxygenase complex with its substrate and its inhibitor" The 4th Annual Conference on Engineering and Information Technology (ACEAIT 2016), March 29-31, 2016; Kyoto, Japan.
  14. Sittikornpaiboon, P., Toochinda, P., and Lawtrakul, L. "The interactions of dihydrofolate with M. tuberculasis dihydrofolate reductase" The 2016 Second Asian Conference on Defence Technology (ACDT 2016), January 21-23, 2016; Chiang Mai, Thailand.
  15. Jitapunkul, K., Toochinda, P., and Lawtrakul, L. "Study of molecular mechanism between 5-Lipoxygenase and inhibitor in comparison with its natural substrate by molecular docking" The 2016 Second Asian Conference on Defence Technology (ACDT 2016), January 21-23, 2016; Chiang Mai, Thailand.
  16. Inthajak, K., Khamsemanan, N., Nattee, C., Toochinda, P., and Lawtrakul, L. "Quantiative structure-activity relationship analysis of 1-[(2-Hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT) analogues with the use of random forest" The 2016 Second Asian Conference on Defence Technology (ACDT 2016), January 21-23, 2016; Chiang Mai, Thailand.
  17. Yooraksa, O., Dangbunjong, P., Sirimanorom, T., Inthajak, K., Lawtrakul, L. “Molecular modeling of cyclodextrins inclusion complexes with plumbagin, piperine and 6-gingerol” The 19th International Annual Symposium on Computational Science and Engineering (ANSCSE19) [CD-ROM]; June 17-19, 2015; Ubon Ratchathani, Thailand.
  18. Jitapunkul, K., Charupanit, S., Kittiwongsophon, N., Sittikornpaiboon, P., Lawtrakul, L. “Molecular modeling of 3-D structures and ligand binding features of cysteinyl leukotriene receptors” The 19th International Annual Symposium on Computational Science and Engineering (ANSCSE19) [CD-ROM]; June 17-19, 2015; Ubon Ratchathani, Thailand.
  19. Sittikornpaiboon, P., Lawtrakul, L. “Molecular dynamics simulations of Mycobacterium Tuberculosis dihydrofolate reductase in complex with ihydorfolate and pyrimethamine” The 3rd Annual Conference on Engineering and Information Technology (ACEAIT 2015); March 22-24, 2015; Osaka, Japan.
  20. Tuncharoen, S., Boonchokchuay, C., Trakanluechai, P., Lawtrakul, L. “A density functional theory study of the precipition reactions of Hg(II) with sodium sulfide” Pure and Applied Chemistry International Conference 2014 (PACCON2014); January 8-10, 2014; Khon Kaen, Thailand.
  21. Atireklap, S., Saejao, C., Weerisrapong, N., Toochinda, P., Lawtrakul, L. “Molecular calculations on inclusion complexes of cyclodextrins with 2-Acetyl-1-Pyrroline” Pure and Applied Chemistry International Conference 2014 (PACCON2014); January 8-10, 2014; Khon Kaen, Thailand.
  22. Atireklap, S., Harrison, J., Eiampanidpong, P., Lawtrakul, L. “Molecular modeling investigations of 1, 3, 5-Dihydrotriazine analogues binding to M.Tuberculosis dihydrofolate reductase” Pure and Applied Chemistry International Conference 2014 (PACCON2014); January 8-10, 2014; Khon Kaen, Thailand.
  23. Sittikornpaiboon, P., Inthajak, K., Toochinda, P., Tarnchompoo, B., Leartsakulpanich, U., Thongpanchang, C.,Lawtrakul, L. “Molecular modeling investigations of pyrimethamine analogues binding to M.Tuberculosisdihydrofolate reductase” Pure and Applied Chemistry International Conference 2014 (PACCON2014); January 8-10, 2014; Khon Kaen, Thailand.
  24. Inthajak, K., Sittikornpaiboon, P., Toochinda, P., Lawtrakul, L. “Molecular docking studies of trimethoprim and cycloguanil analogues binding to M. Tuberculosis dihydrofolate reductase” 2014 Annual Conference on Engineering & Information Technology (ACEAIT 2014); March 28-30, 2014; Tokyo, Japan.
  25. Inthajak, K., Toochinda, P., Lawtrakul, L. “Theoretical study on the molecular encapsulation of Thai sweet basil essential oils by β-cyclodextrin” the 17th International Annual Symposium on Computational Science and Engineering (ANSCSE17); March 27-29, 2013; Khon Kaen, Thailand.
  26. Sittikornpaiboon, P., Toochinda, P., Lawtrakul, L. “Molecular Modeling Investigations of Inhibitors Binding to M. Tuberculosis Dihydrofolate Reductase” the 17th International Annual Symposium on Computational Science and Engineering (ANSCSE17); March 27-29, 2013; Khon Kaen, Thailand.
  27. Roekmongkol, W., Wisarnmetinee, J., Lawtrakul, L. “Molecular Modeling Investigations of Eugenol-Cyclodestrins Inclusion Complexes” Pure and Applied Chemistry International Conference (PACCON2013); January 23-25, 2013; Chon Buri, Thailand.
  28. Theawthua, P., Poocharoen, S., Lawtrakul, L. “Theoretical Study of Santalol with β-Cyclodextrin Inclusion Complexes” Pure and Applied Chemistry International Conference (PACCON2013); January 23-25, 2013; Chon Buri, Thailand.
  29. Kamolvarin, R., Pisudchaikul, M., Jariyapaktikorn, S. Lawtrakul, L. “Molecular Modeling Investigation 0f Inhibitors Binding To HIV-1 Reverse Transcriptase” Pure and Applied Chemistry International Conference (PACCON2013); January 23-25, 2013; Chon Buri, Thailand.
  30. Toochinda, P., Lawtrakul, L. “Theoretical study on the molecular encapsulation of Thai sweet basil essential oils by β-cyclodextrin” The 16th International Cyclodextrins Symposium (ICS16); May 6-10, 2012; Tianjin, P.R. China.
  31. Boonyarattanakalin, K., Wolschann, P., Toochinda, P., Lawtrakul, L. “Molecular dynamics simulations of UC781-cyclodextrins inclusion complexes in ethanol-water solution systems” The 16th International Cyclodextrins Symposium (ICS16); May 6-10, 2012; Tianjin, P.R. China.
  32. Chingchit, R., Lawtrakul, L. “Nanoencapsulation of antiviral agent by cyclodextrins: molecular modeling approach” Pure and Applied Chemistry International Conference (PACCON2012); January 11-13, 2012; Chiang Mai, Thailand.
  33. Sittikornpaiboon, P., Lawtrakul, L. “Prediction of the interaction of M. Tuberculosis dihydrofolate reductase and its antifolates through molecular modeling approach” Pure and Applied Chemistry International Conference (PACCON2012); January 11-13, 2012; Chiang Mai, Thailand.
  34. Baingam, L., Lawtrakul, L., Saengsoy, W., Sirisawat, I., Tangtermsirikul, S. “Study on mechanism of magnesium sulfate attack on hardened cementitious systems by using computation methods” Pure and Applied Chemistry International Conference (PACCON2012); January 11-13, 2012; Chiang Mai, Thailand.
  35. Sitthikornkul, L., Purpiriyapan, P., Tantisuk, S., Lawtrakul, L. “Encapsulation of Thai basil essential oil by cyclodextrins: Molecular inclusion complexes investigation” Pure and Applied Chemistry International Conference (PACCON2011); January 5-7, 2011; Bangkok, Thailand.
  36. Pornthanakasem, W., Leartsakulpanich, U., Kongkasuriyachai, D., Ittarat, W., Boonyarattanakalin, K. S., Lawtrakul, L. “Molecular modeling investigations of inhibitors binding to M. tuberculosis dihydrofolate reductase” Pure and Applied Chemistry International Conference (PACCON2011); January 5-7, 2011; Bangkok, Thailand.
  37. Boonyarattanakalin, K. S., Wolschann, P., Lawtrakul, L. “Structural characterization of beta-cyclodextrin in aqueous alcoholic solutions by molecular dynamics simulations” The 15th International Cyclodextrins Symposium (CD 2010); May 9-12, 2010; Vienna, Austria.
  38. Boonyarattanakalin, K. S., Wolschann, P., Lawtrakul, L. “Molecular dynamics simulations of beta-cyclodextrin in aqueous solution and in the presence of alcohol” Pure and Applied Chemistry International Conference (PACCON2010); Ubonratchathani, January 21-23, 2010; Ubonratchathani University, Thailand.
  39. Boonyarattanakalin, K. S., Klomjitr, A., Phatravinij, D., Krutkhuntode, K., Pimantape, P., Lawtrakul, L. “Molecular modeling of inclusion complexes of non-nucleoside reverse transcriptase inhibitors with beta-cyclodextrin” Pure and Applied Chemistry International Conference (PACCON2010); Ubonratchathani, January 21-23, 2010; Ubonratchathani University, Thailand.
  40. Boonyarattanakalin, K. S., Lawtrakul, L. “Theoretical calculations of vibrational spectrum and conformational analysis of bis(2-hydroxyphenyl)methane” Pure and Applied Chemistry International Conference (PACCON2010); Ubonratchathani, January 21-23, 2010; Ubonratchathani University, Thailand.
  41. Lawtrakul, L., Wolschann, P., Prakasvudhisarn, C., “Quantitative structure-thermodynamics parameters relationship of beta-cyclodextrin inclusion complexes” Pure and Applied Chemistry International Conference (PACCON2009) pp. 476-479; Phitsanulok, January 14-16, 2009; Naresuan University, Thailand.
  42. Lawtrakul, L., Wolschann, P., Prakasvudhisarn, C., “Predicting complexation thermodynamics of β-cyclodextrin with enantiomeric pairs of chiral guests by using swarm intelligence and support vector machines” The 14th International Cyclodextrins Symposium (CD 2008); May 8-11, 2008; pp.421-424, Kyoto, Japan.
  43. Opaprakasit, P., Lawtrakul, L. “Intra-molecular hydrogen bonding in calixarene-like structures of phenolic resins: phenolic analogue models” Pure and Applied Chemistry International Conference (PACCON 2008); January 30 - February 1, 2008; pp.675-680, Bangkok, Thailand.
  44. Prakasvudhisarn, C., Lawtrakul, L. “Particle swarm optimization in quantitative structure-activity relationship of anti-HIV HEPT analogues” Pure and Applied Chemistry International Conference (PACCON 2008); January 30 - February 1, 2008; pp.98-103, Bangkok, Thailand.
  45. Lawtrakul, L. “Molecular dynamics simulations of K103N mutant reverse transcriptase” International Conference on Engineering, Applied Sciences, and Technology (ICEAST 2007), Bangkok, Thailand, November 21- 23, 2007

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