- Drug Design & SBDD Expertise: Key contributor to the structure-based drug design (SBDD) group, applying techniques such as MMGBSA, steered molecular dynamics, docking, virtual screening, clustering, and regression (ML/DL) for the development and evaluation of drug compounds.- Software Development & Deployment: Developed and deployed Python-based applications using FastAPI, Docker, and machine learning to enhance drug discovery efforts and automate internal workflows.- Database… Show more - Drug Design & SBDD Expertise: Key contributor to the structure-based drug design (SBDD) group, applying techniques such as MMGBSA, steered molecular dynamics, docking, virtual screening, clustering, and regression (ML/DL) for the development and evaluation of drug compounds.- Software Development & Deployment: Developed and deployed Python-based applications using FastAPI, Docker, and machine learning to enhance drug discovery efforts and automate internal workflows.- Database Management: Leveraged PostgreSQL and Neo4j for efficient data management and integration within research projects, ensuring robust data handling and accessibility.- Client-Focused Projects: Led tailored drug design and validation initiatives for major pharmaceutical clients, ensuring high standards and successful delivery of computational methods.- AI & NLP: Collaborated with the NLP team on projects involving large language models (LLMs), Retrieval-Augmented Generation (RAG), LangGraph, and LangChain, expanding AI capabilities within the company.- Cross-Disciplinary Collaboration: Partnered closely with chemists and biologists to align software solutions with research objectives, ensuring optimal functionality and scientific accuracy.- Scientific Rigor & Analysis: Maintained high standards of scientific rigor through statistical analysis and data visualization, validating and supporting key research findings. Show less