Research Project
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Chemistry
Multi-scale molecular modelling and large-scale computer simulations
Project Code: RP24Chem06
Field: Computational Chemistry, MD Simulations
Software: GROMACS
Duration: Three Months
Mentor: Dr Sabeel M Basheer
Investigation of Catalytic Action of Metal Complexes
Project Code: RP24Chem04
Field: Computational Chemistry, DFT calculations
Software: GAUSSIAN
Duration: Three Months
Mentor: Dr Sabeel M Basheer
Investigation on Chemosensing Mechanism
Project Code: RP24Chem04
Field: Computational Chemistry, DFT calculations
Software: GAUSSIAN
Duration: Three Months
Mentor: Dr Sabeel M Basheer
Exploring the charge transfer state in donor-acceptor systems using computational tool
Project Code: RP24Chem03
Field: Computational Chemistry, DFT calculations
Software: GAUSSIAN
Duration: Three Months
Mentor: Jibin S
In-silico screening of inhibitors for tyrosine-kinases using MD simulations and free energy calculations
Project Code: RP24Chem02
Field: Computational Chemistry, Molecular Dynamics
Software: GROMACS
Duration: Three Months
Mentor: Dr. Bibhab Bandhu Majumdar
Understanding the interaction mechanisms of antimicrobial peptides and bacterial membrane
Project Code: RP24Chem01
Field: Computational Chemistry, Molecular Dynamics
Software: GROMACS
Duration: Three Months
Mentor: Dr. Bibhab Bandhu Majumdar