Dr. Thirumoorthy K

Designation : Associate Professor Grade 2
School / Centre : School of Advanced Sciences
Department : Chemistry

Educational Details

University of Kalyani, West Bengal, India

Ph.D.
Computational Chemistry
Graduated in 2009

Madurai Kamaraj University, Madurai, Tamil Nadu, India

M.Sc.
Chemistry
Graduated in 2002

The American College, Madurai, Tamil Nadu, India

B.Sc.
Chemistry
Graduated in 2000

Post Doctoral Experiences

California State University, Department of Mathematics and Computer Science, East Bay, Hayward, CA, USA (July 2009 - June 2010); The Ohio State University-Medical Center, Department of Radiation Oncology, Columbus, OH, USA (July 2010 – June 2013) Pre-doctoral Research Experiences: • Senior Research Fellow, University of Kalyani, Department of Chemistry, West Bengal, India (January 2008 - April 2009) Research: Computational quantum chemical investigations of chiral discrimination and recognition in protein synthesis. • Senior Research Fellow, Birla Institute of Technology and Science (BITS), Chemistry Group, Pilani, Rajasthan, India (January 2005 - December 2007) Course Instructor and Research: Quantum Chemistry, Chemistry Laboratory courses and Computational quantum chemical studies of chirality driven morphology and recognition in biomimetic monolayers. • Project Assistant, National Chemical Laboratory (NCL), Catalysis Division, Pune, India (July 2003 - December 2004) Research: Catalytic reactions on metal surfaces • Project Assistant, Madurai Kamaraj University (MKU), School of Chemistry, Madurai, India (July 2002 - June 2003) Research: Molecular modeling of cardiac proteins • Project Student, Madurai Kamaraj University (MKU), School of Chemistry, Madurai, India (December 2001 - April 2002) Research: Synthetic organic chemistry • Summer Project Fellow, Indian Institute of Technology (IIT), Department of Chemistry, Kanpur, India (May 2001 - June 2001); Research: Computational Chemistry


Research Details

Areas of Specialization
  • Computational chemistry
  • Computational Cancer Biology
  • Astrochemistry and Astrobiology
  • AI/ML/DL in Drug Design and Discovery
  • Cheminformatics
  • Metabolomics

: 19
: 35

Ongoing Funded Project Details

Title Funding Agency
Discovering substrate-assisted catalysis mechanism of oncometabolite formation in wild type and mutant IDH1/IDH2 enzyme using QM/MM calculations-DST/NSM/R&D_HPC_Applications DST under National Supercomputing Mission

Completed Funded Project Details

Title Funding Agency
1. Computational Chemistry Modeling for Delineating the Metabolite’s Chirality Driven Cancer Progression Role: Principal-Investigator (DST/SERB/YSRS) DST/SERB/YSRS
Linear, X- And Y-Shaped Borasiloxanes Derived from Ferrocene-Conjugated Boronic Acids: Structural, Electrochemical, Luminescence, Non-Linear Optical and DFT Studies (DST/SERB/EMR) Role: Co-Investigator DST/SERB/EMR
3. Aromatic and Y-shaped Heteroaromatic Donor subunits in Borasiloxane Rings/Cages: Structural, Luminescence, Nonlinear Optical and DFT Studies (CSIR/EMR) Role: Co-Investigator CSIR/EMR
4. Ferrocene Conjugated Y-Shaped Chromophores as Potential Sensitizers in Dye Sensitized Solar Cells with Innovative Redox Mediators (DST/ Indo-Italian Significant Bilateral Project) Role: Co-Investigator DST/ Indo-Italian Significant Bilateral Project
5. Title: Discovering substrate-assisted catalysis mechanism of oncometabolite formation in wild type and mutant IDH1/IDH2 enzyme using QM/MM calculations Role DST/NSM/R&D-HPC

Books / Book Chapters Published Details

Title Publisher Published Year
Chirality and Molecular Interactions: Computational Chemistry Perspective from Biomimetics to Biology, Lap Lambert Academic Publishing, Germany, 2010 (ISBN-13:978- 3-8433-5686-2) Lambert Academic Publishing, Germany 2010
Chirality and dipolar interactions of membrane mimetic amphiphilic molecules, Structure and Dynamics of Membranous Interfaces, 2008, (ISBN:9780470388495) Wiley Online Library 2008

Awards & Recognitions Details

  • 1. DST/Young Scientist Research award 2.Qualified in the joint CSIR/UGC/JRF/LS-NET (National Eligibility Test) (June 2002) 3. Qualified GATE (Graduate Aptitude Test in Engineering) examination conducted by Indian Institute of Science and Indian Institute of Technology (February 2002) 4. Awarded a Summer Project Fellowship, Indian Academy of Sciences, Bangalore, India (May-June 2001)

Other Information

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