Skip to content
View anfelvas's full-sized avatar
⚡
Flashing through chemical space, one scaffold at a time
⚡
Flashing through chemical space, one scaffold at a time

Block or report anfelvas

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Maximum 250 characters. Please don't include any personal information such as legal names or email addresses. Markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse
anfelvas/README.md

👋 Hi, I’m @anfelvas (Andrés Felipe Vásquez)
🧪🌱 Computational biochemist | Natural product innovation 🌎 Based at Computational Chemistry Group – IPB Halle (Germany)

👀 I’m currently interested in:

  • AI-powered cheminformatics & explainable models
  • Natural products and chemical space expansion
  • Biodiversity-linked drug discovery and science diplomacy
  • AI/ML for retrosynthesis and pharmacophore modeling
  • Metabolomics and biosynthetic gene cluster mining for NP discovery 🔬🧬

📖🧬 I’m currently working on:

  • Simulation of carbohydrate-based microgels for agricultural applications, with focus on force field merging strategies (namely GLYCAM06j-1 + GAFF2) for large-scale AA-MD simulations
  • Fragment-based drug discovery (FBLD) approaches for drug design and discovery
  • Chemodiversity and chemical space modeling
  • A One Health knowledge graph connecting plants, natural products, and diseases
  • Knowledge graph–driven drug discovery 🧠🔗
  • Linking chemodiversity and biodiversity for biotech innovation
  • Science-policy interface for biodiversity and bioeconomy

🤝 I’m open to collaborations in:

  • Bioprospecting from plants, fungi, bacteria, and marine organisms 🌿🧫🌊
  • Natural product–inspired compound design and optimization 💊🧪
  • Structure-, ligand-, and complex-based virtual screening
  • Omics-guided drug discovery & biodiversity informatics
  • Ethnopharmacology, chemical ecology, biogeography, and traditional knowledge integration
  • Post-extraction recovery and habitat restoration (reforesting ecology)
  • Development of novel government-advised strategies and policy briefs on bioprospecting, medicine, startups, and STEM education

📫 Reach me at:

🔍Learn more about my work:

Popular repositories Loading

  1. anfelvas anfelvas Public

    Config files for my GitHub profile.

  2. r-basic r-basic Public

    Forked from joanby/r-basic

    Curso de introducción a la estadística descriptiva con R Studio

    HTML