Chemistry BSc thesis project
Dec 10, 2025
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1 min read
Summary
Chemistry BSc thesis project titled “Resolving inflammation: Computational study on the positional regioselectivity of 5-HETE and 5-HpETE in human ALOX15”, presented at the Department of Chemistry at the Autonomous University of Barcelona under the supervision of Dr. Àngels González Lafont.
This work uses a computational workflow based on molecular docking, molecular dynamics (MD) and QM/MM calculations to study the regioselectivity of human ALOX15 for 5S-HETE and 5S-HpETE, two intermediates involved in the pro-resolution phase of inflammation.
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Computational and Theoretical Chemistry
Inflammation Resolution
Lipoxins
ALOX15 Regioselectivity
Docking
MD
QM/MM
Authors
Sergi Ortiz Ropero
(he/him)
Physics & Chemistry BSc graduate
Sergi Ortiz is a junior researcher and a prospective master’s student with special interest in Theoretical Chemistry and Computational Modeling. Honored with an excellence award, the two BScs in Physics and Chemistry have allowed him to pursue research in atomistic modeling, including the study of enzymatic systems at UAB and the study of the physical adequacy of Machine Learning Interatomic Potentials at ICMAB. With a published paper at JACS, he is now focusing on learning Japanese before venturing out further in his scientific career.