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Dr. Chandan Patel

Areas of Expertise

  • Quantum Chemical Calculations
  • Molecular Dynamics Simulations
  • Protein Ligand Docking

Areas of Interest

  • Reaction Mechanism
  • Protein-Ligand interactions
  • Protein Structure
  • Weak Interactions
  • Prediction of Chemical properties


Adjunct Faculty


Applied Science


Date of Joining COEP: 


Prior to joining COEP Industrial Experience (Years): 


Prior to joining COEP Teaching/Research Experience: 


Teaching Experience: 


Industry Experience: 


Research Experience: 



  • Doctorate, Ecole Normale Superieure de Lyon, France
  • Integrated Masters in Chemistry, Indian Institute of Technology, Bombay, India

Teaching Responsibility: 

  • Applied Chemistry course for F.Y. B.Tech
  • Applied Chemistry Laboratory for F.Y. B.Tech

Additional Responsibility: 

  • Scrutiny Team Member, M. Tech./MBA Admissions. (2020-2021 & 2021-2022)
  • Faculty Advisor, F.Y. B.Tech (2021-2022)
  • Faculty Mentor, Student Induction Program (2020-2021 & 2021-2022)


  1. Octanol-Water Partition Coefficients of Fluorinated Drug Molecules with Continuum Solvation Models.
    Patel, C.Roy, D. J. Phys. Chem. A2022 (Manuscript Accepted) 
  2. A Computational Study of Molecular Mechanism of Chloroquine Resistance by Chloroquine Resistance Transporter Protein of Plasmodium falciparum via Molecular Modeling and Molecular Simulations.
    Patel, C.; Roy, D. PhysChem, 2021, 1, 232.
  3. Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway
    Rathore, I.; Mishra, V.; Patel, C.; Xiao, H. ; Gustchina, A. ; Wlodawer, A. ; Yada, R. Y. ; Bhaumik, P. The FEBS Journal, 2021, 288, 678.
  4. Hypercoordinate Iodine catalysts in enantioselective transformations : The role of catalyst folding in stereoselectivity
    Sreenithya A.; Patel, C.; Hadad, C. M.; Sunoj, R. B. ACS catal. 2017, 7, 4189.
  5. Mechanism and reactivity in the Morita-Baylis-Hillman reaction : the challenge of accurate computation.
    Liu, Z.; Patel, C.; Harvey, J. N.; Sunoj, R. B. Phys. Chem. Chem. Phys. 2017, 19, 30647.
  6. Mechanistic Insights and the Origin of Regioselective Borylation in an Iridium-Catalyzed Alkyl C(sp3)–H Bond Functionalization
    Patel, C.; Abraham, V.; Sunoj, R. B. Organometallics, 2017, 36, 151.
  7. Understanding the structural basis of substrate recognition by Plasmodium falciparum plasmepsin V to aid in the design of potent inhibitors
    Bedi, R. K.; Patel, C.; Mishra, V. ; Xiao, H. ; Yada, R. Y. ; Bhaumik, P. Sci. Rep. 2016, 6, 31420.
  8. Structure, dynamics and interactions of a C4′-oxidized abasic site in DNA : a concomitant strand scission reverses affinities
    Patel, C.; Tomàs, D.; Lankaš, F.; Dumont, E. Biochemistry, 2013, 52, 8115.
  9. Addressing the competitive formation of tandem DNA lesions by a nucleobase peroxyl radical : a DFT-D screening. Dupont, C.; Patel, C.; Ravanat, J. –L. ; Dumont, E. Org. Biomol. Chem. 2013, 11, 3038.
  10. What Singles Out the G[8–5]C Intrastrand DNA Cross-Link? Mechanistic and Structural Insights from Quantum Mechanics/Molecular Mechanics Simulations. Patel, C.; Garrec, J.; Dupont, C.; Dumont, E. Biochemistry, 2013, 52, 425.
  11. Insights into Intrastrand Cross-Link Lesions of DNA from QM/MM Molecular Dynamics Simulations.
    Garrec, J.; Patel, C.; Rothlisberger, U.; Dumont, E. J. Am. Chem. Soc., 2012, 134, 2111.
  12. Improved DFT Description of Intrastrand Cross-Link Formation by Inclusion of London Dispersion Corrections.
    Dupont, C.; Patel, C.; Dumont, E. J. Phys. Chem. B, 2011, 115, 15138.
  13. TiCl4-Promoted Baylis−Hillman Reaction: Mechanistic Rationale toward Product Distribution and Stereoselectivity.
    Patel, C.; Sunoj, R. B. J. Org. Chem., 2010, 75, 359.
  14. Mechanistic Insights and the Role of Cocatalysts in Aza-Morita−Baylis−Hillman and Morita−Baylis−Hillman Reactions.
    Roy, D.; Patel, C.; Sunoj, R. B. J. Org. Chem., 2009, 74, 6936.
  15. Probing Intramolecular Interactions in Arylselenides Using a Property Descriptor Based Approach.
    Roy, D.: Patel, C.; Liebman, J. F.; Sunoj, R. B. J. Phys. Chem. A, 2008, 112, 8797.

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