Subrmani
About
BS-MS student in Biological Sciences at IISER Kolkata with strong interdisciplinary training in molecular biology, bioinformatics, and computational biology. Experienced in molecular dynamics simulations, protein–ligand interaction analysis, and large-scale data analysis for enzyme engineering using computational tools and machine learning approaches. Experience working with large-scale simulation data and developing reproducible computational workflows. Research interests focus on applying simulation-based and, AI data-driven predictive modeling approaches to understand biomolecular structure, dynamics, and function.
Experience
Master Thesis Researcher
Indian Institute of Science Education and Research, Kolkata
Comparison of glucose tolerance in thermophilic and mesophilic GH1 family β-glucosidases using molecular dynamics simulations
- Investigated solvent-mediated enzyme dynamics and glucose inhibition using GROMACS simulations.
- Processed and analyzed large-scale microsecond-scale molecular dynamics trajectories using automated pipelines and Python-integrated, Bash-based workflows.
- Analyzed binding affinity, residue-level energy contributions, residence time of glucose, and structural stability and flexibility.
- Identified key determinants of glucose tolerance relevant for enzyme engineering applications.
Intern (Experimental Research - Dengue Virus)
IIT Roorkee
Purification, Expression, and Characterization of Dengue Virus Serotypes in Bacterial Cells for Diagnostic Applications and Identifying potential monoclonal antibodies for therapeutics purposes, Prof. Rajesh Kumar
- Molecular cloning and expression of Dengue virus serotype antigens in E. coli, followed by protein purification using affinity chromatography.
- Performed biochemical and immunological characterization of expressed viral proteins using SDS-PAGE, Western blotting, Ni- NTA chromatography and ELISA to confirm expression, purity, and antigenic activity.
Intern (Computational Biology - β-glucosidase)
IISER Kolkata
Thermal Sensitivity analysis of β-glucosidase from Thermococcus sp. using molecular dynamics simulations, Prof. Supratim Datta
- Analysed MD trajectories using RMSD, RMSF, SASA, radius of gyration, Schlitter entropy and contact metrics to study protein dynamics.
- Computed protein-ligand interactions (van der Waals, electrostatic, polar, non-polar contributions) and binding free energies using gmxMMPBSA across varying temperature conditions.
Education
BS-MS in Biological Sciences
Indian Institute of Science Education and Research, Kolkata
Skills
Programming Languages
Libraries and Frameworks
MD and Structural Tools
Bio-informatics Tools
Molecular Biology Techniques
Interdisciplinary Training
Computational Techniques
Data Science
Biology Applications
Projects
Linux-based Research Data server
Designed and deployed a Linux-based server to automate storage, organisation and retrieval of large-scale MD simulation datasets.
Parkinson's Disease Progression Modelling using Machine Learning View
Developed machine learning models for biological data analysis to predict disease progression from clinical datasets, primarily focusing on interpretability and robustness across three different models.
Stroke Risk Prediction using R View
Built and validated an stroke prediction pipeline using the R's tidymodels framework, addressing class imbalance and clinical data-preprocessing.
Languages
English
Expert
Volunteer Work
Open Day Organizer
IISER Kolkata
Organized an institutional Open Day for regional school students to promote scientific literacy and research awareness.
Conference Volunteer
FIMB Conference, IISER Kolkata
Managed registration desk and assisted with logistics and transportation for invited speakers.
Awards
Qualified GATE (Life Science) 2025
Indian Institute of Technology (IIT), Roorkee
Jan 2025
Secured All India Rank of 3347 out of 40000 students applied for this examinations.
Workshops
Fundamentals of Mathematical Biology workshop
Molecular Docking and Homology Modeling
Literature Writing
Future Trends: AI, IoT, and Digital Tools in Microbial Biotechnology - Book Chapter Writing (Manuscript is submitted)
Writing on AI predictive-modelling, industrial fermentation, healthcare applications and cloud-based biological data integration.
Relevant Coursework
Machine Learning
Probability & Statistics
Genomic Data Science
Data Structures & Algorithms
Academic Achievements & Roles
Presented a poster (Master's thesis progress)
Poster detailing the progress of my Master's thesis during the Semester IX evaluation.
Presented a poster at FIMB Conference
Presented a poster at the Frontiers in Modern Biology (FIMB) Conference, IISER Kolkata.
Teaching Assistant (TA)
Elected as TA for LS1202 (Biology Laboratory II) and LS3202 (Biostatistics).
Subrmani
About
BS-MS student in Biological Sciences at IISER Kolkata with strong interdisciplinary training in molecular biology, bioinformatics, and computational biology. Experienced in molecular dynamics simulations, protein–ligand interaction analysis, and large-scale data analysis for enzyme engineering using computational tools and machine learning approaches. Experience working with large-scale simulation data and developing reproducible computational workflows. Research interests focus on applying simulation-based and, AI data-driven predictive modeling approaches to understand biomolecular structure, dynamics, and function.
Experience
Master Thesis Researcher
Indian Institute of Science Education and Research, Kolkata
Comparison of glucose tolerance in thermophilic and mesophilic GH1 family β-glucosidases using molecular dynamics simulations
- Investigated solvent-mediated enzyme dynamics and glucose inhibition using GROMACS simulations.
- Processed and analyzed large-scale microsecond-scale molecular dynamics trajectories using automated pipelines and Python-integrated, Bash-based workflows.
- Analyzed binding affinity, residue-level energy contributions, residence time of glucose, and structural stability and flexibility.
- Identified key determinants of glucose tolerance relevant for enzyme engineering applications.
Intern (Experimental Research - Dengue Virus)
IIT Roorkee
Purification, Expression, and Characterization of Dengue Virus Serotypes in Bacterial Cells for Diagnostic Applications and Identifying potential monoclonal antibodies for therapeutics purposes, Prof. Rajesh Kumar
- Molecular cloning and expression of Dengue virus serotype antigens in E. coli, followed by protein purification using affinity chromatography.
- Performed biochemical and immunological characterization of expressed viral proteins using SDS-PAGE, Western blotting, Ni- NTA chromatography and ELISA to confirm expression, purity, and antigenic activity.
Intern (Computational Biology - β-glucosidase)
IISER Kolkata
Thermal Sensitivity analysis of β-glucosidase from Thermococcus sp. using molecular dynamics simulations, Prof. Supratim Datta
- Analysed MD trajectories using RMSD, RMSF, SASA, radius of gyration, Schlitter entropy and contact metrics to study protein dynamics.
- Computed protein-ligand interactions (van der Waals, electrostatic, polar, non-polar contributions) and binding free energies using gmxMMPBSA across varying temperature conditions.
Education
BS-MS in Biological Sciences
Indian Institute of Science Education and Research, Kolkata
Skills
Programming Languages
Libraries and Frameworks
MD and Structural Tools
Bio-informatics Tools
Molecular Biology Techniques
Interdisciplinary Training
Computational Techniques
Data Science
Biology Applications
Projects
Linux-based Research Data server
Designed and deployed a Linux-based server to automate storage, organisation and retrieval of large-scale MD simulation datasets.
Parkinson's Disease Progression Modelling using Machine Learning View
Developed machine learning models for biological data analysis to predict disease progression from clinical datasets, primarily focusing on interpretability and robustness across three different models.
Stroke Risk Prediction using R View
Built and validated an stroke prediction pipeline using the R's tidymodels framework, addressing class imbalance and clinical data-preprocessing.
Languages
English
Expert
Volunteer Work
Open Day Organizer
IISER Kolkata
Organized an institutional Open Day for regional school students to promote scientific literacy and research awareness.
Conference Volunteer
FIMB Conference, IISER Kolkata
Managed registration desk and assisted with logistics and transportation for invited speakers.
Awards
Qualified GATE (Life Science) 2025
Indian Institute of Technology (IIT), Roorkee
Jan 2025
Secured All India Rank of 3347 out of 40000 students applied for this examinations.
Workshops
Fundamentals of Mathematical Biology workshop
Molecular Docking and Homology Modeling
Literature Writing
Future Trends: AI, IoT, and Digital Tools in Microbial Biotechnology - Book Chapter Writing (Manuscript is submitted)
Writing on AI predictive-modelling, industrial fermentation, healthcare applications and cloud-based biological data integration.
Relevant Coursework
Machine Learning
Probability & Statistics
Genomic Data Science
Data Structures & Algorithms
Academic Achievements & Roles
Presented a poster (Master's thesis progress)
Poster detailing the progress of my Master's thesis during the Semester IX evaluation.
Presented a poster at FIMB Conference
Presented a poster at the Frontiers in Modern Biology (FIMB) Conference, IISER Kolkata.
Teaching Assistant (TA)
Elected as TA for LS1202 (Biology Laboratory II) and LS3202 (Biostatistics).