My research mainly focuses on the application of Computational Chemistry for molecular level understanding of complex chemical and biological systems by molecular dynamics simulations and quantum mechanical/molecular mechanical methods. I apply the knowledge of chemical bonding to predict the properties and reactivities of complex systems. My training and foundation in chemistry helps me to translate the molecular level knowledge to complex biomolecular systems, where I had established the unique roles played by the amino acid residues in the selective K+-ion transport and in Be2+-ion toxicity. I have also trained two M. Phil. students. Currently four Ph. D. students are working under my guidance.
Susmita De
Associate Professor
Department of Chemistry
University of Calicut
Calicut University PO, Malappuram - 673 635, Kerala, India
Phone: +91-9496213788
Email: dr_susmita_de@uoc.ac.in, susmitade1980@gmail.com
Google Scholar Profile: ‪Susmita De‬ - ‪Google Scholar‬
​
EXPERIENCE
EXPERIENCE
March 2022-till date
Associate Professor
CALICUT UNIVERSITY
2017-2022
Assistant Professor
COCHIN UNIVERSITY OF SCIENCE AND TECHNOLOGY
2013-2017
INSPIRE Faculty
NIT CALICUT, Kerala, India
​
NIT CALICUT, Kerala, India
​
2012-2013
DST Fast Track Young Scientist (2012 - 2015)
2010-2011
Guest Faculty
NIT CALICUT, Kerala, India
​
2009-2010
Research Associate
FIFC, Kyoto, Japan
​
2008-2009
Research Associate
Philips-University Marburg, Germany
​
2004-2010
Ph. D.
University of Hyderabad/IISc Bangalore
During my Ph. D. I had worked on the Theoretical Studies on Organometallic Complexes and Transition Metal Clusters” under the supervision of Prof. E. D. Jemmis
​
2002-2004
Masters's Degree (M. Sc.)
UNIVERSITY of Calcutta
M. Sc. in Chemistry, 75.9%, 5th Rank
​
​
​
2002-2004
Bachelor's Degree (B. Sc.)
UNIVERSITY of Calcutta
B. Sc. in Chemistry (Hons.), 71%, 31st Rank
EDUCATION
Dr. Radhika Narayanan Nair
DST Women Scientist (WOS-A)
Department of Chemistry,
University of Calicut
Period of Work: 2023-2026
PhD: Tokyo Metropolitan University
Dr. Muhasina P. V.
Nava Kerala Postdoctoral Fellow
Department of Chemistry,
University of Calicut
Period of Work:2023-2025
PhD: NIT Calicut, Kerala
Mohammed Sadik N. K.
Ph.D. Student
Department of Applied Chemistry, CUSAT, Kochi-22
Period of Work: 2017-
M.Sc. Chemistry, Acharya Institute, Bangalore
Gopika Sabu
Ph.D. Student
Department of Applied Chemistry, CUSAT, Kochi-22
Period of Work:2018 -
M.Sc. Chemistry, St. Joseph's College, Moolamattom, Kerala
Anjima James
Linta Mary Jose
Ph.D. Student
Department of Applied Chemistry, CUSAT, Kochi-22
Period of Work:2018 -
M.Sc. Chemistry, Sacred Heart College, Thevara, Kerala
anjimajames@cusat.ac.in
Part Time Ph.D. Student
Department of Applied Chemistry, CUSAT, Kochi-22
Period of Work:2018 -
Assistant Professor
T. M. Jacob Memorial Govt. College Manimalakunnu, Kerala
lintamj2020@gmail.com
Resma Mohan
Akhila P P
Hijra M
FUNDING
RESEARCH INTEREST
Main Group Chemistry
Structure, Bonding and reactivity
Metal Protein Interaction
Transition Metal Chemistry
Material Sciences
Multi-scale modeling
IMPORTANT PUBLICATIONS
​
​
​
​
​
​
​
​
​
​
​
​
​
​
​
​
​​
TEACHING INTEREST
Computational Chemistry
Quantum Chemistry
Transition Metal Chemistry
Organometallic Chemistry
Chemical Bonding
Coordination Chemistry
Transition Metal Chemistry
SPONSORED PROJECTS
Current Project: DST SERB SPG PROJECT (SPG/2022/001350)
​​​​
-
"Reverse-engineering of Effective Plastic Degrading Enzymes through Structure-based Optimization – A Combined Molecular Dynamics Simulations and Machine Learning Prediction"; Sponsoring Agency: DST-SERB; Grant Sanctioned: ₹ 30,00,000/-; Duration: 3 years (from 01.07.2023 -), Role – PI.
-
“Mechanistic Investigation of Enzymatic Plastic Degradation – A Molecular Dynamic Simulations and QM/MM Approaches”; Sponsoring Agency: Kerala Govt.; Grant Sanctioned: ₹3,00,000/-; Duration: 1 years (from 28.12.2022 - 27.12.2023), Role - PI.
-
“Metal Mediated Immunotoxicity – A Molecular Level Understanding of Metal Binding to MHC-Peptide Complex and T Cell Recognition”; Sponsoring Agency: DST-SERB; Grant Sanctioned: ₹ 27,39,970/-; Duration: 3 years (from 05.02.2020 - 04.02.2023), Role – PI.
-
“A Molecular Level Understanding of Different Binding Modes and Blocking Action Of Quaternary Ammonium Ions With K+-Ion Channel”; Sponsoring Agency: Kerala Govt.; Grant Sanctioned: ₹3,50,000/-; Duration: 3 years (from 21.12.2018 - 20.12.2021), Role - PI.
-
“Naked Carbon as a Bridging Ligand in Bimetallic Ruthenium Complexes - A Theoretical Study on the Formation, Stability, Bonding and Reactivity”; Sponsoring Agency: DST-EMR; Grant Sanctioned; ₹34,00,871/-; Duration: 3 years (from 25.01.2017 – 24.01.2020), Role – Co-PI
-
“Photo-switchable K+ ion Channel Blockers: A Computational Quantum Mechanical Investigation of the Blocking Action and Design of Efficient Channel Blockers”; Sponsoring Agency: DST-INSA; Grant Sanctioned: ₹ 35,00,000/-; Duration: 5 years (from 11.07.2013 – 10.07.2019), Role – PI.
-
“A Theoretical Study on the Enzymatic Catalysis by Methane Mono-oxygenase: Designing of Biomimetic Catalysis for the Conversion of Methane to Methanol”; Sponsoring Agency: DST; Grant Sanctioned: ₹ 25,50,000/-; Duration: 3 years (from 10.07.2012 – 18.02.2016), Role – PI.