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Project Students
PhD
Dr. albin joy
Present Position: Looking for PostDoc
Educational Qualifications:
M.Sc. (Chemistry), Indian Institute of Technology Bhubaneswar, Bhubaneswar
B.Sc. (Chemistry), St. Joseph's College Devagiri, Calicut
(Qualified CSIR)
Research Interests: Investigation of structure, dynamics, and biological activities of metalloproteins.
Email: cy19d501[AT]iittp.ac.in
Thesis Title: "Unraveling the Molecular Origins of Exceptional Thermal Stability and Anti-Cancer Properties of Metalloprotein Azurin"
Publications:
Azurin-Based Peptide p28 Arrests the p53-HDM2 Interactions: A Novel Anti-Cancer Pathway, A. Joy, A. Srivastava and R. Biswas, arXiv:2411.07124, (2024) (Under Revision).
Significance of the Disulfide Bridge in the Structure and Stability of Metalloprotein Azurin, A. Joy and R. Biswas, J. Phys. Chem. B 128, 973-84 (2024).
Role of Metal Cofactor in Enhanced Thermal Stability of Azurin, A. Joy and R. Biswas, J. Phys. Chem. B 127, 4374–4385 (2023).
Molecular Insight into the High Thermal Stability of Metalloprotein Azurin, A. Joy and R. Biswas, J. Phys. Chem. B (Kankan Bhattacharyya Festschrift), 126, 2496–2506 (2022).
Effects of hydrophobic solute on water normal modes, K. D. Reddy, A. Joy and R. Biswas, Chem. Phys. 550, 111303 (2021) (arxiv:2105.00640).
DR. K. Devendra reddy
Present Position: Postdoctoral Research Fellow at Texas Tech University
Educational Qualifications:
M.Sc. (Chemistry), Yogi Vemana University, Kadapa
B.Sc. (Chemistry), Loyola Degree College, Pulivendula, Kadapa
(Qualified CSIR JRF, GATE)
Research Interests: Theoretical spectroscopic investigation of condensed phase systems.
Email: cy18d501[AT]iittp.ac.in
Thesis Title: "Impacts of hydrophobic and amphiphilic solutes on water structure and dynamics"
Publications:
Why does urea not alter the vibrational spectroscopic signatures of water? P. Adhikary, K. D. Reddy and R. Biswas, Chemical Physics Impact 8,100609 (2024).
Perturbation of Fermi Resonance on Hydrogen-Bonded >C=O: A 2D IR Studies of Small Ester Probes, S. Sakpal, S. Chakrabarty, K. D. Reddy, S. Deshmukh, R. Biswas, S. Bagchi, A. Ghosh, J. Phys. Chem. B (Accepted) (2024).
Theoretical Spectroscopy Aided Validation of Hydration Structure of Trimethylamine N-oxide (TMAO), K. D. Reddy and R. Biswas, J. Phys. Chem. B 127, 12, 2774–2783 (2023).
Hydrophobic Hydration: A Theoretical Investigation of Structure and Dynamics, K. D. Reddy and R. Biswas, J. Chem. Sci. 135, 5(1-8) (2023).
Effects of hydrophobic solute on water normal modes, K. D. Reddy, A. Joy and R. Biswas, Chem. Phys. 550, 111303 (2021) (arxiv:2105.00640) (2021).
Theoretical Spectroscopy of Isotopically Dilute Water and Hydrophobicity, K. D. Reddy and R. Biswas, J. Chem. Phys. 153, 094501 (2020) (arXiv:2006.07960v1).
Masters
Rahul katariya
M.Sc. IIT Tirupati, M.Sc. Thesis, 2025
Thesis Title: Atomistic Modeling of Calixarene Nanostructures for Enhanced Water Desalination
YASH kirti
M.Sc. IIT Tirupati, M.Sc. Thesis, 2025
Thesis Title: Microscopic Understanding of the Kosmotropic Effect of TMAO under Extreme Conditions
Atulya Menon
M.Sc. Jyoti Nivas College Autonomous, Bangalore, 2024
Thesis Title: Molecular dynamics simulation of blue copper protein azurin
ARNAB SADHUKHAN
M.Sc. IIT Tirupati, M.Sc. Thesis, 2024
Thesis Title: Study of water desalination process through PA[5]
PREETI
M.Sc. IIT Tirupati, M.Sc. Thesis, 2024
Thesis Title: Study of Structural and Stability Aspects of Rubredoxin
Present Position: Ph.D. Student at IIT Delhi.
SUMAN ADHIKARY
M.Sc. IIT Tirupati, M.Sc. Thesis, 2023
Thesis Title: Artificial Water Channels Towards Better Water Desalination
Present Position: Ph.D. Student at Syracuse University, New York, USA.
K. Hemahasan sai
BS-MS, IISER Tirupati, MS Thesis, 2022
Thesis Title: Theoretical Quest to Investigate the Molecular Mechanisms of Water Purification using Carbon-Based Nanomaterials
Present Position: Ph.D. Student at IIT Tirupati.
Pankaj Adhikary
M.Sc. Kalyani University, M.Sc. Thesis, 2021
Thesis Title: Removal of Arsenic Contamination from Groundwater Using CNT Nanochannel: A Molecular Dynamics Study
Present Position: Ph.D. Student at IIT Tirupati.
Nikhil Ranjan Das
M.Tech, AMITY University, M.TECH. Thesis, 2020
Thesis Title: Probing Radioactive Waste in Water: A Molecular Simulation and Theoretical Spectroscopy Approach
Internship/JRF
Rudhiranjan sahoo
BS-MS, NISER Bhubaneswar,
Internship, 2023
Sampriti Mukherjee
BS-MS, IISER Berhampur,
Internship under SERB SSR, 2023
ARGHADIP DEY
M.Sc., IIT Kanpur, 2022
Aditi mahesHwari
BS-MS, IISER Bhopal,
JRF, 2022
Abdul aziz mondal
M.Sc., INTERN, University of Calcutta,
INTERN, 2021
SAGNIK MUKHERJEE
M.Sc., IIT Tirupati,
INTERN, 2021
Ranjitha R
BS-MS, IISER Tirupati,
SUMMER INTERN, 2019
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