About
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
- Free energy calculations
- Drug design
- Programming
Experience
Visiting James C. Gumbart's lab at the School of Physics.
Advisor: James C. Gumbart.
Training on QM/MM methods for proton transport simulations on relevant biophysical systems at the Fritz Haber Center for Molecular Dynamics.
Advisor: Noam Agmon.
In silico lead generation and optimization of small molecules.
Advisor: Aniket Magarkar.
Assistant professor
Higher Institute of Technologies and Applied Sciences, University of Havana
Sept 2018 — Jun 2020 · La Habana, Cuba
I worked in the disciplines of Thermodynamics, Quantum Chemistry, and Nuclear Chemistry. I prepared and gave lectures under the supervision of the main professors, and supervised practical lessons and lab sections.
Education
PhD · MSCA fellowship
Marie Skłodowska-Curie ITN · Saarland University
Oct 2020 — Present · Saarbrücken, Germany
Applying advanced computational techniques to drug development for critical diseases: simulating and modeling biological systems to understand disease mechanisms and optimize therapeutic agents.
Part of the Innovative Training Networks (ITN-ETN) under the Marie Skłodowska-Curie Action (H2020-MSCA-ITN-2019), hosted by the Biophysics Group of Prof. Jochen S. Hub at Saarland University. The research focused on the inhibition and permeation mechanisms of the Plasmodium falciparum formate-nitrite transporter using molecular dynamics simulations, and on developing novel methods for estimating binding free energies of small molecules.
Advisor: Jochen S. Hub · Scholarship: Marie Skłodowska-Curie Actions
Master in Radiochemistry
Higher Institute of Technologies and Applied Sciences, University of Havana
Sept 2018 — Jun 2020 · La Habana, Cuba
Combined chemoinformatics tools and quantum chemistry techniques to identify potential inhibitors of AT1R, with potential as both therapeutic agents and positron emission tomography (PET) radiopharmaceuticals labeled with 18F.
Advisors: Ulises Jáuregui Haza, Zalua Rodríguez Riera
Bachelor in Radiochemistry (BAC+5)
Higher Institute of Technologies and Applied Sciences, University of Havana
Sept 2013 — Jul 2018 · La Habana, Cuba
Developed new PET radiopharmaceuticals for diagnosing and monitoring cardiovascular and oncoproliferative diseases, using density functional theory (DFT) and chemoinformatics to evaluate the stability and reactivity of candidate compounds. Presented at several conferences; graduated with honors, first in class.
Advisors: Ulises Jáuregui Haza, Zalua Rodríguez Riera
Contact
Send me a message if you would like to get in touch, have questions or feedback on my projects, or just want to say hello.
- Office
- Campus E2 6, room 1.08, 66123 Saarbrücken, Germany
- Enter Building E2 6 and take the stairs to office 1.08 on the first floor.
- Direct message
- Message me on LinkedIn