Valerio Rizzi
@valeriorizzi33
Maître-assistant @gervasiolab @unige_en | PostDoc @GroupParrinello | Computational physicist, #MolecularDynamics #Biophysics
🦋 valeriorizzi.bsky.social
ID: 1578483155924828161
https://scholar.google.com/citations?hl=en&user=HUdZjX4AAAAJ 07-10-2022 20:31:45
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We are looking for a PhD student and a postdoc to join our team at UNIGE_en in Geneva🇨🇭to work on an exciting Swiss National Science Foundation Sinergia project with BordignonLab and @raunser on understanding the assembly of Bax pores at the mitochondrial membrane, a key step in apoptosis.
Our OneOPES paper is now out in JCIM & JCTC Journals ! This multiple replica enhanced sampling method developed with Valerio Rizzi Simone and Narjes is able to fully converge the free energy landscapes of complex biomolecular systems even with sub-optimal CVs! Mini 🧵 1/
Our new strategy for cryptic pocket detection, SWISH-X is out in JCIM & JCTC Journals! doi.org/10.1021/acs.jc… It combines SWISH's Hamiltonian replica exchange with expanded ensemble sampling with OPES to speed up cryptic pocket exploration. 1 / 🧵
Our paper with Thorben Fröhlking Valerio Rizzi & Luigi Bonati on learning path-like collective variables with autoencoders is now out in The Journal of Chemical Physics ! This is the latest step in a journey that began with "From A to B in Free Energy Space". pubs.aip.org/aip/jcp/articl…
Checkout our #preprint of our latest manuscript on DeepLNE++, our new and improved deep-learning path-like collective variable arxiv.org/abs/2407.04376 by Thorben Fröhlking, Valerio Rizzi, Simone Aureli, Gervasio's Research Group (Protein Dynamics) . Summary in thread:
Excited to see our work on accelerating DeepLNE++ published in The Journal of Chemical Physics at doi.org/10.1063/5.0226… The updated link for tutorials: github.com/ThorbenF/DeepL… Many thanks to Valerio Rizzi, Simone Aureli, and the entire Gervasio's Research Group (Protein Dynamics). Summary below: x.com/TFroehlking/st…
Looking for an accurate and transferable strategy to calculate protein-ligand absolute binding free energies? Check out our latest paper now published in The Journal of Physical Chemistry with Maurice Karrenbrock Valerio Rizzi Dom Simone Aureli Gervasio's Research Group (Protein Dynamics) doi.org/10.1021/acs.jp… 1/🧵
📷 How do proteins really fold? Our latest The Journal of Physical Chemistry Lett. paper unveils a new enhanced sampling MD strategy to investigate it in atomistic resolution by focusing on water and side-chain interactions. Check it out : pubs.acs.org/doi/10.1021/ac…