Skip to content
View montserratamion's full-sized avatar
🎯
Focusing
🎯
Focusing
3 followers · 11 following

Block or report montserratamion

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.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, 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
montserratamion/README.md

Hi there, I am Montse! 👋

I am a computational scientist with a PhD in Computational Chemistry. I am passionated for drug discovery and protein and polymer folding. I use computational methods to study the structure and dynamics of soft materials, such as proteins, polymers, and biological membranes. My work has the potential to lead to new drug discoveries and to improve our understanding of fundamental biological processes.

Outside of my research, I enjoy teaching Chemistry and volunteering to promote science education. I believe that everyone should have the opportunity to learn about the fascinating world of chemistry and to appreciate the power of computational simulation.

I am excited to use my skills and experience to make a positive impact on the world. I am always looking for new challenges and opportunities to collaborate with others.

Contact me today to learn more about my work or to discuss potential collaborations!

  • 👯 I’m open to collaborate!
  • 😄 Pronouns: She/her/hers
  • 📫 How to reach me: Please, check my LinkedIn
  • For more information about my project, check my Portfolio

Languages and Tools:

Terminal

python

GitHub

Visual Studio Code


Pinned Loading

  1. ChemInformatics_SERT_Clustering_methods ChemInformatics_SERT_Clustering_methods Public

    Jupyter Notebook

  2. ChemInformatics_SERT_exploratory_analysis ChemInformatics_SERT_exploratory_analysis Public

    Jupyter Notebook

  3. SIMONA-DHscan SIMONA-DHscan Public

    WaNo focused into perform screening dihedral calculations with SIMONA. Then it provides inputs of the most important torsion for DFT scan calculation with DFT-Turbomole WaNo.

    Python

  4. SMILES2PDB SMILES2PDB Public

    Workflow Active Node that creates PDB or xyz molecule coordinates from SMILES code

    Python

  5. KIT-Workflows/Dihedral-Scan KIT-Workflows/Dihedral-Scan Public

    SimStack workflow that score torsions in molecules with SIMONA and perform a high level quantum dihedral scan with Turbomole

    Python

  6. protein_interface protein_interface Public

    Jupyter Notebook