Alejandro Martínez León
PhD-Student of Biophysics | MSCA
Saarland University
Computational Biophysics Group
About me
Hi there! My name is Alejandro Martínez León, and I’m a radiochemist with a passion for computational chemistry and biophysics. While my background is in radiochemistry, my recent research and studies have focused heavily on computational chemistry, particularly in the realm of biophysics. I believe that understanding chemistry is the key to understanding life itself, which is why I’ve devoted myself to exploring the fascinating world of computational chemistry. From molecular mechanics to quantum chemistry and everything in between, I’ve spent years honing my skills and expanding my knowledge in this exciting field. My dream is to use these techniques to develop new drugs and diagnostic tools that can help combat some of the world’s most pressing health challenges.
I’m always excited to collaborate and share my work with others, and I strongly believe in the power of open-source technology to advance scientific progress.
When I’m not in the lab, you can find me playing guitar and jamming out to my favorite music.
If you share my passion for computational chemistry and biophysics or just want to chat about science and music, feel free to reach out!
- MD Simulations
- Enhanced Sampling Techniques
- Free Energy Calculations
- Drug Design
- Programming
PhD in Biophysics, 2020–now
Saarland University, Saarbrücken
Master in Radiochemistry, 2018–2020
Higher Institute of Technologies and Applied Sciences, University of Havana, Cuba
Bachelor in Radiochemistry, 2013–2018
Higher Institute of Technologies and Applied Sciences, University of Havana, Cuba
Experience
Training on QM/MM methods for proton transport simulations on relevant biophysical systems. On the Fritz Haber Center for Molecular Dynamics.
- Advisor: Noam Agmon.
Engaging on in silico lead generation, and optimization of small molecules.
- Advisor: Aniket Magarkar.
Education
This project is part of the Innovative Training Networks of the Marie Skłodowska-Curie measure (ITN- ETN) in the Specific Program Science Excellence - Framework Program of the European Union for Research and Innovation “Horizon 2020” (GA N ° 860592, H2020-MSCA-ITN-2019). The host of this research is the Biophysics group of Prof. Jochen S. Hub of the University of Saarland, Germany. The investigation is focused in the understanding of the inhibition and permeation mechanism of Plasmodium-falciparum formate-nitrite-transporter through Molecular Dynamic simulations and other computational techniques.
- Advisor: Jochen S. Hub
- Scholarship from: Marie Skłodowska-Curie Actions
During my master's program in radiochemistry, I specialized in computational methods. My research involved a combination of chemoinformatics tools and quantum chemistry techniques. As a result, we were able to identify potential inhibitors of AT1R, which could serve as both therapeutic agents and positron emission tomographic (PET) radiopharmaceuticals. To further enhance their efficacy, we labeled these compounds with 18F.
During my Bachelor's program in radiochemistry (BAC+5), I gained proficiency in a range of scientific techniques, including the use of advanced computational tools like Density Functional Theory (DFT) and chemoinformatics methods. My research project focused on developing new positron emission tomography (PET) radiopharmaceuticals that could help diagnose and monitor cardiovascular and oncoproliferative diseases. Specifically, I evaluated the stability and reactivity of different compounds using DFT calculations and identified the most promising candidates for further study. I also had the opportunity to present my research at several conferences and graduated with honors and first of my class.