Theoretical Chemist; Group leader at the Wrocław University of Science and Technology; interested in biomolecular (photo)chemistry, photoinduced electron transfer and prebiotic chemistry; avid runner;
https://iam.pwr.edu.pl/people/rafal-szabla
Rafał Szabla
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Looking for a Post-doc in QM and MD simulations of RNA? Join us! <2 days left to apply:
euraxess.ec.europa.eu/jobs/424962
We are working on nonenzymatic RNA self-replication and the development of machine learning potentials for the simulation of nucleic acids :).
Q-Chem's Δ-ALMO(MSDFT2) combines ΔSCF with ALMO to generate diabatic states, then uses MSDFT2 to obtain their couplings with charge-transfer states. Here, developers test Δ-ALMO(MSDFT2) on systems ranging from singlet fission to DNA repair: doi.org/10.1063/5.00...
The International Day of Women and Girls in Science is an excellent opportunity to share with you some info about the outstanding female PhD students that I have the privilege to work with. Below, Róża Okoń, 1st year PhD student working on kinetics of complex (photo)chemical reactions 🙂. 1/2
@chemcomm.rsc.org 😊
Barbara Lech and Boluwatife Ogunnaiya (3rd and 2nd year PhD students) investigate nonenzymatic RNA self-replication with molecular dynamics and quantum chemical methods. They recently described their work in two exciting research articles:
t.co/uz5Wrnt6qh
t.co/5Mifw9SjY3
t.co/FBzsNvQs6h
Rafał Szabla
I am looking for a Postdoctoral Researcher who will focus on computational studies of RNA. Topics include studying non-enzymatic RNA self-replication with MD and QM/MM methods, and applying/developing machine learning potentials for RNA. Full info under:
euraxess.ec.europa.eu/jobs/405129
Have you ever wondered what happens to DNA after absorption of light? It could lead to photoinduced electron transfer. Our new approach to the calculation of photoinduced electron timescales was just published!
pubs.acs.org/doi/10.1021/...
See our simulation of this process:
youtu.be/eSzKTzZJgmo
On his birthday, we're remembering our late co-founder Jim Simons — a true visionary in mathematics, investing and philanthropy. #science #math
Nonenzymatic self-replication of nucleic acids is driven by helicity type A! The unique structure of RNA is predisposed to nonenzymatic copying, and DNA can be copied on an RNA template. Is this why nature chose RNA?
Great work by Barbara, from my group!
pubs.rsc.org/en/content/a...
Previously, we characterized the self-repair of DNA photolesions for sequences as GATT. We just discovered that RNA exhibits different yields because of its secondary structure. Relative arrangement of nuleobases determines the photochemistry.
@acs.org @ncn.gov.pl
pubs.acs.org/doi/full/10....
