Raunak (Singh) S.
MSc Research: Atomistic Study of the Conformational Dynamics of the ADPDK Membrane Protein
Experience
MSc Research: Atomistic Study of the Conformational Dynamics of the ADPDK Membrane Protein
University College Dublin
Investigating the structural and functional dynamics of the PC1-PC2 (Polycystin) ion channel implicated in ADPKD.
Performing homology modeling and molecular dynamics simulations to explore conformational states and drug-binding behaviour.
Utilizing NAMD and VMD for simulation workflows, with Python scripts for trajectory analysis and property extraction and Markov Model analysis.
Aiming to derive biologically relevant insights into channel function, binding free energy and potential therapeutic targets through atomistic modeling and docking simulations.
Experience handling FASTA data formats, scripted tools to parse, analyze, and visualize results with pandas, Matplotlib, and Plotly.
Master of Science in Computational Physics
University College Dublin
- Relevant coursework: Computational Biophysics and Nanoscale Simulations, Bioinformatics, MATLAB & R Programming, Physics Data Analysis using Python, Machine Learning
Systems Engineer (Developer)
Tata Consultancy Services Limited
Developed scalable Java and PLSQL-based modules for a large insurance product platform, optimising claim workflows.
Designed and optimised complex SQL queries, stored procedures, and triggers to support robust application functionality.
Proposed and implemented backend batch automation that improved user experience and system responsiveness, increasing productivity by 20%.
Worked cross-functionally with stakeholders, demonstrating strong communication, collaboration, and delivery ownership.
Bachelor of Engineering in Electronics and Telecommunication
Ramrao Adik Institute Of Technology (under University of Mumbai)
- Academic distinctions: 10 CGPA in Engineering Mathematics, Data Structures & Algorithms, and Programming
Summary
Recent MSc Computational Physics graduate (CGPA 3.91) with expertise in scientific computing, molecular modeling, and data-driven biomedical research. Experienced in protein dynamics simulations, Markov modeling, and Python-based data analysis, with a strong foundation in interdisciplinary problem-solving and a successful track record in industry-focused software development.
Skills
Scientific Computing: High Performance Computing, Slurm, Molecular Dynamics (Namd/vmd), Protein Docking (Patchdock, Autodock), Homology Modeling, Alphafold, Sequence Analysis & Alignment, Markov Modeling, Protein Function Prediction
Programming Languages: Python, Sql, C, C++, Java, Javascript, Nodejs, Reactjs
Tools & Technologies: Matlab, Git, Plsql, Java, Batch Processing, R, Unix, Dockers (Basics), Linux, Tensorflow, Pytorch
Cloud Computing/devops Exposure: Basic Experience Aws Ec2 & S3 (Project Use Cases), Git-based Ci/cd, Linux
Languages
Education
University College Dublin
Master of Science in Computational Physics · Computational Physics · Dublin, Ireland · 3.91/4.2
Ramrao Adik Institute Of Technology (under University of Mumbai)
Bachelor of Engineering in Electronics and Telecommunication · Electronics and Telecommunication · Mumbai, India · 8.63/10.00
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