What is better than stochastic resetting for enhanced sampling? INFORMED stochastic resetting. Check out our new preprint here:
https://t.co/I96NOGaIhj
Postdoc Jon Church @JonR_Church led the paper 👑
Read this through: WE HAVE PORTALS!
@chemistrytau@BioSoftTAU@TelAvivUni
Together with @DinaSchneidman and @JonR_Church we report the use Geometric Deep Learning for prediction of absorption maxima in rhodopsins! Check it out and try the code!
https://t.co/GT5Ww6fE7s
Post-doc positions in my research group are available 👨🔬
Desirable fields: (i)biosensor based on nanocomposite involving spectroscopic characterization🔬 (ii)simulations & DFT🖥️ to understand material properties.
National & international applications are invited!!
email 📩 /DM 📥
Together with Cecilia Clementi @CecClementi and Nir Ben-Tal, we are organizing @cecamEvents workshop "Multiscale Simulation of Photoresponsive Biological Systems" organized in Tel Aviv, September 10-13. Check it out: https://t.co/TL0CvRMjjr
Happy to share the final version of my work with @foeroyingur and @IgorSchapiro highlighting the improvement obtained from the fragment-based polarizable embedding scheme when calculating the excitation energies of photoreceptor proteins with QM/MM.
https://t.co/SvVjUwWXZF
Interested in azobenzenes and/or cages? Please check out our new paper, in which we introduce DESC!
https://t.co/3uASt6t2tq
Led by superb student @juliusgemen, with many thanks to our amazing collaborators @APriimagi @IgorSchapiro@duRNDN_NA @TPRuoko et al.