The U.S. Department of Energy’s Office of Science has allocated supercomputer access to 81 computational science projects for 2025 through its Innovative and Novel Computational Impact on Theory and Experiment, or INCITE, program. Among the recipients is Associate Professor Giuseppe Barca… Read More »INCITE program awarded
In this paper, we use computational methods to guide the design of GFP that can be cleaved and photodissociated. The simulations resulted in three suggested mutation sites, with up to 20 times faster photodissociation for the triple-alanine mutant. The article… Read More »New Nature Communications paper on protein engineering of GFP
We welcome Federica Serlini, an ERASMUS student from the University of Padua, Italy, to the group. Federica will be modelling and simulating beta-lactamases, antibiotics, and inhibitors during her 6-month research internship with us. More information about Federica’s project can be… Read More »New group member
We welcome Alexandros Zantis and Marco Halbeisen to the group. Both are students at the MSc in Chemistry program at Uppsala University, and will work on modelling beta-lactamases using computational methods. More information about their projects is found in the… Read More »New group members
Our latest JACS paper titled “Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of β-Lactamases” has been highlighted in Derek Lowe’s Science blog “In the Pipeline”: https://www.science.org/content/blog-post/electric-fields-make-enzyme
The paper, titled “Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of β-Lactamases” describes how changes in electric fields projected on the reacting bond on the ligand correlates with catalytic rates and activity in TEM-1 β-Lactamase. Read more here:… Read More »New JACS paper on Electric Fields in β-Lactamases
For successfully defending her degree project today! Isabell’s thesis is about the Class A beta-lactamase IMI-1. She has simulated the enzyme with and without antibiotics to understand the dynamics and binding mechanisms. Well done drawing the audience in and keeping… Read More »Congratulations to Isabell
For successfully defending her degree project today! Well done parrying the deluge of questions from the opponents(!), subject specialist, and examiner!
For successfully defending his degree project today! A great presentation, interesting discussion and valuable results!
Welcome to our three new group members, Alexander Lidén, Isabell Lindahl, and Linda Liljeholm! They are final year Masters degree students in Chemical Engineering at Uppsala University, finishing their program with a computational degree project in our lab. More information… Read More »New members
I’ve started my position as a Researcher at the Department of Chemistry – BMC funded by the Knut and Alice Wallenberg Foundation. I will be working in the fields of computational enzymology and protein engineering. However, my main project is… Read More »New position