Publications

  • "Size Dependence of Graphene Chemistry: A Computational Study on CO Desorption Reaction", B.Q. Pham, V.H. Nguyen, T.N. Truong, Carbon (2016) 101, 16-21. Published, 01/12/2016.
  • “Theoretical Study on Mechanisms of Epoxy- Phenol Curing Reaction”, M-P. Pham, B.Q. Pham, L.K. Huynh, H.Q. Pham, M.J. Marks, T.N. Truong, Journal of Computational Chemistry (2014) 35, 1630-1640. Published, 06/2014.
  • “Discover Binding Pathways Using the sliding grid-box docking approach: Application to Binding Pathways of Oseltamivir to avian influenza H5N1 neuraminidase”, D.-T. Tran, L. Le, T.N. Truong, Journal of Computer-Aided Molecular Design (2013) 27, 689-695. Published, 08/2013.
  • “Effects of Amine Organic Groups as Lattice in ZSM-5 on the Hydrolysis of Dimethyl Ether”, J. Meeprasert, S. Jungsuttiwong, T.N. Truong, S. Namuangruk, Journal of Molecular Graphics and Modeling (2013) 43, 31-40. Published, 06/2013.
  • “Kinetics of the Hydrogen Abstraction ·C2H5 + Alkane → C2H6 + Alkyl Reaction Class: An Application of the Reaction Class Transition State Theory”, A. Ratkiewicz, B.Q. Pham, L.K. Huynh, T.N. Truong, Theoretical Chemistry Accounts (2013) 132, 1-17. Published, 02/2013.
  • "Kinetics of Thermoneutral Intermolecular Hydrogen Migration in Alkyl Radicals", A. Ratkiewicz, B. Bankiewicz, T.N. Truong, Physical Chemistry Chemical Physics (2010) 12, 10988-10995. Published, 09/2012.
  • “Kinetics of the C–C bond beta scission reactions in alkyl radical reaction class”, A. Ratkiewicz, T. N. Truong, Journal of Physical Chemistry A (2012), 116(25), 6643-6654. Published, 05/2012.
  • “Electronic Spin Transitions in Finite-size Graphene”, B. Q. Pham, T.N. Truong, Chemical Physics Letters, Chemical Physics Letters (2012), 535, 75-79. Published, 05/2012.
  • “Computational evaluation of selectivity of triazole- and amide-based drug candidates, flavanone derivatives and synthesized steroid compounds for treatment of diabetes type II”, H-P. Nguyen, D.-T. Tran, T.N. Truong, L. Le, Journal of Life Sciences (2012) 6, 1277-84. Published, 04/2012.
  • “A Canonical Form of the Complex Reaction Mechanism”, A. Ratkiewicz, T. N. Truong, Energy (2012), 43(1), 64-72. Published, 02/2012.
  • “Electronic characterization and reactivity of bimetallic clusters of the Ti(Mg)n type for hydrogen storage applications”, W. Silva, T.N. Truong, F. Mondragon, Journal of Alloys and Compounds (2011) 509, 8501-09. Published, 08/2011.
  • “Mechanisms of carbon gasification reactions using electronic structure methods’, J. F. Espinal, T. N. Truong, F. Mondragon, Book Chapter in Spectroscopy, Dynamics, and Molecular Theory of Carbon Plasma and Vapors, Editors: L. Nemes and S. Irle, World Scientific, (2011) 445-501. Published, 06/2011.
  • “Determination of structural requirements of influenza neuraminidase type A inhibitors and binding interaction analysis with the active site of A/H1N1 by 3D-QSAR CoMFA and CoMSIA modeling”, P.R. Murumkar, L. Le, T.N. Truong, M.R. Yadav, Medicinal Chemistry Communication (2011), 2, 710-719. Published, 05/2011.
  • “Molecular modeling of swine influenza A/H1N1, Spanish H1N1, and avian H5N1 flu N1 neuraminidases bound to Tamiflu and Relenza”, L. Le, E. Lee, K. Schulten, T. N. Truong, PLoS Currents: Influenza, 2009, 1, RRN1015. Published, 01/2011.
  • Kinetics of Thermoneutral Intermolecular Hydrogen Migration in Alkyl Radicals", A. Ratkiewicz, B. Bankiewicz, T.N. Truong, Physical Chemistry Chemical Physics (2010) 12, 10988-10995. Published, 10/02/2010.
  • “A Virtual Screening Approach for Electronic Properties of Organic Light Emitting Diode (OLED) Materials Using Semi-Empirical Molecular Orbital Theory”, H. T. Nguyen, T. N. Truong, Chemical Physics Letters (2010) 499, 263-267. Published, 10/2010.
  • "Molecular Dynamics simulations suggest that Electrostatic Funnel Directs Binding of Tamiflu to influenza N1 Neuramindases", L. Le, E. Lee, D. Hardy, T.N. Truong, K. Schulten, PLoS Computational Biology, (2010), 6(9), e1000939. doi:10.1371/journal.pcbi.1000939. Published, 09/2010.
  • Kinetics of the Hydrogen Abstraction R-OH + H --> R-O* + H2 Reaction Class”, A. Ratkiewicz and T. N. Truong, International Journal of Chemical Kinetics (2010) 42, 414-429. Published, 09/01/2010.
  • Explicitly-Solvated Ligand Contribution to Continuum Solvation Models for Binding Free Energies: Selectivity of Theophylline Binding to an RNA Aptamer”, H. Freedman, L. P. Huynh, L. Le, T.E. Cheatam III, J. Tuszynski, T. N. Truong, Journal of Physical Chemistry B (2010) 114, 2227-2237. Published, 07/05/2010.
  • 170. "Molecular Dynamics simulations suggest that Electrostatic Funnel Directs Binding of Tamiflu to influenza N1 Neuramindases", L. Le, E. Lee, D. Hardy, T.N. Truong, K. Schulten, PLoS Computational Biology,. Published, 06/09/2010.
  • “Use of the RISM method to evaluate the free energy of binding of 4',6-diamidino-2-phenylindole to the small groove of DNA according to a molecular-dynamics path”, E.V. Soholev, D.A. Tikhonov, H. Freedman, T.N. Truong, Mathematical Biology and Bioinformatics (2010), 5(2), 98-113. Published, 04/2010.
  • “Kinetics of the Hydrogen Abstraction R-OH + H  R∙-OH + H2 Reaction Class: An Application of the Reaction Class Transition State Theory”, A. Ratkiewicz,J.Bieniewska, T. N. Truong, International Journal of Chemical Kinetics (2010) 43, 78-98. Published, 04/2010.
  • “Explicitly-Solvated Ligand Contribution to Continuum Solvation Models for Binding Free Energies: Selectivity of Theophylline Binding to an RNA Aptamer”, H. Freedman, L. P. Huynh, L. Le, T.E. Cheatam III, J. Tuszynski, T. N. Truong, Journal of Physical Chemistry B (2010) 114, 2227-2237. Published, 02/2010.
  • “Kinetics of the Hydrogen Abstraction R-OH + H --> R-O* + H2 Reaction Class”, A. Ratkiewicz and T. N. Truong, International Journal of Chemical Kinetics (2010) 42, 414-429. Published, 01/2010.
  • "Top-hits for A/H1N1 identified by virtual screening using ensemble-based docking", H. T. Nguyen, L. Le, T.N. Truong, PLoS Currents: Influenza, 2009,1, RRN1030. Published, 09/2009.
  • “Heterogeneous CO2 Evolution from Oxidation of Aromatic Carbon-based Materials”, J. Orrego, F. Zapata, T. N. Truong, F. Mondragon, Journal of Physical Chemistry A (2009) 113, 8415-8420.. Published, 07/2009.
  • “Theoretical Study on the Interaction between Xenon and Positively Charged Silver Clusters in Gas Phase and on the (001) Chabazite Surface”, H. G. Nguyen, G. Konya, E. Eyring, D. Hunter, T.N. Truong, Journal of Physical Chemistry C (2009), 113, 12818-12825. Published, 05/2009.
  • “Kinetics of Enol Formation from Reaction of OH with Propene”, L. K. Huynh, H.R. Zhang, S. Zhang, E. Eddings, A. Sarorim, P.R. Westmoreland, T.N. Truong, Journal of Physical Chemistry A (2009), 113, 3177-3185. Published, 03/2009.
  • "Theoretical Study on kinetics of the H2CO + O2 → HCO + HO2 reaction", L.K. Huynh, M. Tirtowidjojo and T.N. Truong, Chemical Physics Letters (2009), 469, 81-84. Published, 02/2009.
  • "Kinetics of 1,4 Hydrogen Migration in Alkyl Radical Reaction Class”, B. Bankiewicz, L. K. Huynh, A. Ratkiewicz, T. N. Truong, Journal of Physical Chemistry A (2008), 113, 1564-1573. Published, 11/2008.

Research Statement

My research interests are divided into two general areas: Computational chemistry and cyberinfrastructure development.

  1. Computational Chemistry: Development and applications of computational methods for studying structures and activity of chemical processes.  Particular projects include graphene chemistry and drug binding pathways.
  2. Cyberinfrastructure development:  Developing a cloud computing enabled educational cyberenvironment known as the Science Community Laboratory (www.scicolab.net) for crowdsourcing drug discovery process.

Research Keywords

  • cyberinfrastructure
  • Materials Chemistry
  • Computational Chemistry

Presentations

  • “Citizen Science in Drug Discovery”, 2015 International Conference on Genomic Medicine , Ho-Chi-Minh City, Vietnam. Invited Talk/Keynote, Presented, 07/20/2015.
  • “Crowdsourcing drug discovery”, invited presentation at at the 18th Pacific Rim Applications and Middleware Assembly (PRAGMA) Meeting, Indiana University, Oct. 16-18th, 2014. Invited Talk/Keynote, Presented, 10/2014.
  • “Crowdsourcing drug discovery”, invited presentation at the Second International Conference on Computational Science and Engineering, Ho-Chi-Minh City, Vietnam, Aug. 18-21, 2014. Invited Talk/Keynote, Presented, 08/2014.
  • “Quantum Chemistry made Simple” workshop, Aug. 9-11, 2014, HCM City University of Pedagogy. Invited Talk/Keynote, Presented, 08/2014.
  • “Workshop on Quantum Chemistry”, Dec. 20-23rd, 2013, HCM City University of Pedagogy. Invited Talk/Keynote, Presented, 12/2013.
  • Cyber-Infrastructure for Research and Education in Computational Chemistry’, invited presentation at the 18th Pacific Rim Applications and Middleware Assembly (PRAGMA) Meeting, University of California at San Diego . Contributed Talk, Presented, 03/02/2010.

Software Titles

  • Science Community Laboratory. Cloud-computing enabled informal educational software system for computer-aided drug discovery. Release Date: 02/2014. Inventors: Thanh N. Truong. Distribution List: www.scicolab.net.

Languages

  • English, fluent.
  • Vietnamese, fluent.

Geographical Regions of Interest

  • South-Eastern Asia