BIOGRAPHY
Madhurima Jana is currently a Professor at NIT Rourkela. She completed her doctoral studies in computational physical chemistry, focusing on carbohydrate dynamics, from IIT Kharagpur in 2012. In 2011, she joined the Department of Chemistry at NIT Rourkela as an Assistant Professor. She spent one year (2013-2014) at the University of Maryland, Baltimore and involved in developing Drude polarizable force field for carbohydrates. Her research group uses state-of-art molecular dynamics, enhanced sampling techniques, and quantum mechanical tools in exploring the following areas, • Effects of additives/cosolvent on protein structure and dynamics • Structural aspects of glycans and their interactions with proteins • Lipid-sugar interactions • Alcohol-induced stress on lipid bilayer • Force Field development for carbohydrate and small organic molecules • Host-guest interaction in confined media • Transport properties of Li-ion battery electrolytes in the presence of potential new additives and salts. Visit us @Research Group Webpage: https://sites.google.com/view/madhurimajana
EXPERTISE INFORMATION
Research Group
- Physical Chemistry
Areas of Interest
- Computational Physical Chemistry
Madhurima Jana Professor & Associate Dean (Sponsored Research)
Chemistry
janam@nitrkl.ac.in
0661 - 246 2663
52
PUBLICATIONS4
SPONSORED PROJECTS10
DOCTORAL STUDENTS4
CONTINUING EDUCATIONPERSONAL INFORMATION
Madhurima Jana
Professor
Chemistry
Room Number: MC-318
Department of Chemistry, National Institute of Technology Rourkela, Sundargarh, Odisha, India - 769008
2012
Ph.D.
Computational BiophysicsIIT Kharagpur
2005
M.Sc
Chemistry (Spl: Physical)Vidyasagar University
Teaching Experience
- Physical and Computational Chemistry, NIT Rourkela, 17 Nov 2011 - present
Post Doctoral Research Experience
- Development of carbohydrate force field, University of Maryland, Baltimore, 03 Dec 2013 - 05 Dec 2014
- Proton transfer reaction in formic acid dimer, Pontificia Universtded Catolica de Chile, Santiago, 01 May 2012 - 30 Jun 2012
Laboratory Development
- Molecular Simulation Laboratory, NIT Rourkela, Computational laboratory equipped with servers, workstations and high performance computing cluster to carry on atomistic simulations of materials and biological macromolecules.
Analyzing saccharide effects on lipid bilayers under alcohol induced stress: A computer simulation approach. Science & Engineering Research Board(SERB)
- Principal Investigator
- 36
- Running Sponsored
Microscopic investigation of the stability of proteins in Amino Acid solutions SERB
- Principal Investigator
- 36
- Completed Sponsored
In silico studies of structural diversity of glycosaminoglycans and their interactions with protein BRNS
- Principal Investigator
- 36
- Completed Sponsored
Effects of Alcohols on Proteins: A Molecular Dynamics Simulation Approach SERB
- Principal Investigator
- 36
- Completed Sponsored
Total Publications: 52
D. Mohanta and M. Jana,"Effect of ethanol concentrations on temperature driven structural changes of chymotrypsin inhibitor 2", Journal of Chemical Physics, vol.144, no.16, pp.165101, American Institute of Physics, April 2016, 10.1063/1.4947239 Article
D. Mohanta, S. Santra, and M. Jana,"Conformational disorder and solvation properties of the key-residues of a protein in water-ethanol mixed solutions", Physical Chemistry Chemical Physics, vol.19, no.48, pp.32636-32646, Royal Society of Chemistry 2017, 10.1039/c7cp06022j Article
D. Mohanta and M. Jana,"Can 2,2,2-trifluoroethanol be an efficient protein denaturant than methanol and ethanol under thermal stress?", Physical Chemistry Chemical Physics, vol.20, no.15, pp.9886-9896, Royal Society of Chemistry, March 2018, 10.1039/C8CP01222A Article
R. Parida, G. N. Reddy, A. Chakraborty, S. Giri, and M. Jana,"A new class of superhalogen based anion receptor in Li-ion battery electrolytes", Journal of Chemical Information and Modeling, vol.59, no.5, pp.2159-2164, American Chemical Society, February 2019, 10.1021/acs.jcim.9b00035 Article
NSM WORKSHOP ON INTRODUCTION TO HPC Electronics and Communication Engineering (Workshop)
- Co-Coordinator
- 06 Dec 2024 - 07 Dec 2024
- Brochure
Modeling and Synthesis: Molecules to Macromolecules (MSMM-2023) Chemistry (Workshop)
- Coordinator
- 25 Sep 2023 - 29 Sep 2023
- Brochure
Molecular Modeling of Materials and Biological Macromolecules Chemistry (Workshop)
- Coordinator
- 22 Sep 2020 - 26 Sep 2020
- Brochure
Biomolecular Dynamics: Experimental and Theoretical Perspectives (BDETP-2017) Chemistry (Conference)
- Co-Coordinator
- 18 Dec 2017 - 20 Dec 2017
- Brochure
- CY1002 : Chemistry of Materials for Energy Applications {Theory}
- CY101 : Chemistry {Theory}
- CY1101 : Chemistry {Theory}
- CY2301 : Physical Chemistry: Equilibrium and Changes {Theory}
- CY231 : Basic Physical Chemistry I {Theory}
- CY231 : Basic Physical Chemistry-I {Theory}
- CY232 : Chemical Kinetics {Theory}
- CY331 : Basic Physical Chemistry – II {Theory}
- CY5301 : Statistical Thermodynamics {Theory}
- CY5302 : Computational Chemistry {Theory}
- CY533 : Statistical Thermodynamics {Theory}
- CY534 : Computational Chemistry {Theory}
- CY535 : Electrochemistry {Theory}
- CY1170 : Chemistry Laboratory {Practical}
- CY170 : Chemistry Laboratory {Practical}
- CY4704 : Mathematical and Computational Methods in Chemistry {Practical}
- CY571 : Computational Chemistry Laboratory – I {Practical}
- CY572 : Computational Chemistry Laboratory – II {Practical}
Ph.D. Students [9]
Conformations and Binding of Chondroitin Sulfate, Heparan Sulfate, and Hyaluronic Acid with CXCL8 in Aqueous Medium from Molecular Dynamics Simulation
Shakuntala DhuruaEnrolled: Jan 2019Graduated : Sep 2024Supervisor
Combined Density Functional Theory and Molecular Dynamics Study on the Design and Application of Super-Alkali/Halogen and Analysis of Reaction Mechanism
Rakesh ParidaEnrolled: Jan 2017Graduated : Apr 2022Supervisor
Microscopic Investigation of Conformational Stability of Proteins in Amino Acid Solutions and the Properties of Solvent Around it
Santanu SantraEnrolled: Jul 2016Graduated : May 2022Supervisor
In Silico Studies of Functionalized Aromatic Heterocyclic and Zintl Ion Based Super-Atom/Alkali/Halogen
G Naaresh ReddyEnrolled: Jan 2016Graduated : Aug 2020Supervisor
Molecular Dynamics Studies of the Effects of Alcohols on Chymotrypsin Inhibitor 2
Dayanidhi MohantaEnrolled: Jan 2013Graduated : May 2018Supervisor
COMPUTIONAL CHEMISTRTY
Bilash MaityEnrolled: Jul 2023ContinuingSupervisor
COMPUTATIONAL CHEMISTRY
Sankar MaityEnrolled: Apr 2022ContinuingSupervisor
Computational Chemistry
Piyusaranjan GiriEnrolled: Aug 2021ContinuingSupervisor
Computational Chemistry
Rabiul GaziEnrolled: Jan 2020ContinuingSupervisor
Executive Ph.D. Students [1]
Computational Chemistry
Sashmita NayakEnrolled: Aug 2021ContinuingSupervisor
Awards And Honours
- CRSI Bronze Medal 2023, 2023
- Fellow of Indian Chemical Society, 2019
- BRNS-DAE Young Scientist Award, 2018
- IUSSTF award (by United States-India Science and Technology Endowment Fund, Govt. of USA and INDIA), 2013
- DST FASTTRACK Young Scientist, 2013
- Eli-Lily Asia Outstanding Thesis Award (1st Prize), 2012
- National Scholarship, 1998
Memberships / Fellowships
- • Life member, Indian Photobiology Society, 2023
- • Community Member, American Chemical Society, 2020
- • Life member, Indian Chemical Society, 2018
- • Life member, Chemical Research Society of India, 2013
- • Member, Odisha Chemical Society, India, 2013
- • JRF through GATE ( IIT Kharagpur), 2006
- • JRF-SRF (CSIR-UGC), 2005