Raunak (Singh) S.

MSc Research: Atomistic Study of the Conformational Dynamics of the ADPDK Membrane Protein

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Dublin, Ireland

Experience

Sep 2024 - Sep 2025
1 year 1 month

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.

Sep 2024 - Sep 2025
1 year 1 month
Dublin, Ireland

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
Oct 2023 - Jul 2024
10 months
Pune, India

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.

Jul 2019 - May 2023
3 years 11 months
Mumbai, India

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

English
Advanced

Education

Sep 2024 - Sep 2025

University College Dublin

Master of Science in Computational Physics · Computational Physics · Dublin, Ireland · 3.91/4.2

Jul 2019 - May 2023

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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