Simulating Biological Systems

A computational approach to understanding the physics of life, from protein dynamics to molecular interactions.

Education

My academic background and research experience.

Master of Science in Bioinformatics

Johns Hopkins University

Researching under: TBD

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Bachelor of Science in Physics

University of British Columbia

Researched under Park Lab

Core Competencies

A visual summary of the key technologies and methodologies utilized in my work.

Project Showcase

A selection of my recent work, from published research to interactive web applications.

Protein Folding Simulation Toolkit

Protein Folding Simulation Toolkit

PythonReactGROMACSMDAnalysisData VizFastAPIThree.js

A Python-based toolkit for running and analyzing molecular dynamics simulations of protein folding, featuring a streamlined pipeline for GROMACS and a web-based visualization dashboard built with React.

  • Engineered a data processing pipeline that reduced analysis time by 40%.
  • Developed an interactive 3D protein viewer using React and Three.js.
  • Implemented a REST API with FastAPI to serve simulation results to the frontend.

Deep Learning for Ligand Binding Affinity

PyTorchGNNDrug DiscoveryPublicationMachine LearningPandas

Published research on a novel graph neural network architecture that predicts small molecule binding affinity with state-of-the-art accuracy, outperforming traditional docking methods.

  • Achieved a 15% improvement in prediction accuracy over existing baseline models.
  • Co-authored a paper published in the Journal of Chemical Information and Modeling.
  • Designed and trained a Graph Convolutional Network on a dataset of over 100,000 protein-ligand complexes.
Interactive Cell Signaling Pathway Explorer

Interactive Cell Signaling Pathway Explorer

JavaScriptD3.jsAPI IntegrationBioinformaticsUI/UX Design

A web application that allows users to explore complex cell signaling pathways interactively. Built with D3.js for data visualization and integrated with pathway databases like KEGG.

  • Visualized complex biological networks using force-directed graphs in D3.js.
  • Integrated real-time data from the KEGG API to ensure pathway information is up-to-date.
  • Created a user-friendly interface that received positive feedback for its intuitive design.

Let's Connect

Questions, comments, or discussions are all welcome. Feel free to reach out.

Based in Brazil • © 2025 Andre Fortes. All Rights Reserved.