Welcome
Hello! I am Abdul Aziz Mandal, a researcher in computational chemistry and molecular dynamics simulations.
About Me
I am pursuing research in computational and theoretical chemistry with interests in protein aggregation, drug–protein interactions, and force field development.
My long-term aim is to combine molecular dynamics simulations and machine learning to accelerate drug discovery.
News
Coming soon...
Experience
- Researcher – Jadavpur University (2024 – Present)
Working on computational modeling of protein aggregation and ligand interactions using molecular dynamics simulations. - Project Student – University of Calcutta (2021 – 2022)
This project is on “Quantum Cryptography: An IBMQ Experience”. This Quantum Cryptography is a kind of encryption method uses quantum mechanics properties to secure and transfer data in a way that can’t be hacked. In current progress quantum computers will be able to break public encryption key easily. - Project Student - CSIR-NEIST (2020)
This project is on Interdisciplinary Studies " Evaluation of effect of oral contraceptives on certain miRNAs and stress induced pathway in endometrial and ovarian cancer cells in vitro."
Education
- M.Sc. Chemistry – University of Calcutta, Kolkata (2020-2022)
- B.Sc. Chemistry – University of Calcutta (2017-2020)
- Higher Secondary (WBCHSE) – Tapan High School (2017)
- Secondary (WBBSE) – Tapan High School (2015)
Skills
- Molecular Dynamics: GROMACS, AMBER, LAMMPS
- Free-energy methods: Umbrella Sampling, PMF calculations
- Force field parameterization and optimization
- Programming: Python, Bash, Julia, Qiskit, Basic Fortran, HPC
- Visualization: VMD, PyMOL, Chimera, BIOVIA
- Quantum Chemistry: Gaussian
Awards
- INSPIRE Fellowship – Department of Science & Technology, Govt. of India (2023)
- INSPIRE Scholarship – Department of Science & Technology, Govt. of India (2017-2022)
- IIT-JAM - IIT Kanpur (2020)
Blog
Coming soon...
Publications
Yet to be published.
Projects
- Investigated amyloid aggregation of single amino acids and its inhibition using small molecules, with a focus on tannin compounds.
- Study the effect of pH on amyloid aggregation propensity.
- Quantum Cryptography: An IBMQ Experience.
- Evaluation of effect of oral contraceptives on certain miRNAs and stress induced pathway in endometrial and ovarian cancer cells in vitro.
Repositories
👨💻 All my projects are available at: GitHub Profile
Connect with me:
Languages and Tools:
My GitHub Projects
CV
Teaching
Aspire to mentor students in near future in molecular simulation practices, guiding them through research projects and skill development.
People
Coming soon.
Bookshelf
Coming soon.
News
Coming soon...
