Veronica Macaluso @VerMacaluso
Postdoc in Computational Chemistry | @orozco_lab Barcelona, Spain Joined March 2021-
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Veronica Macaluso retweeted
Congratulations to Giacomo @GSalvadori7 for winning the best contributed talk prize at #CT4OPTO !
Congratulations to Giacomo @GSalvadori7 for winning the best contributed talk prize at #CT4OPTO !
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Veronica Macaluso retweeted
@MolecolabPisa @NatureComms @GSalvadori7 @LCupellini Last piece of the puzzle about a #phytochrome photo-activation, my last work with @MolecolabPisa. It has been great to work in this amazing lab. Big congrats to @GSalvadori7 for his first author paper :) and on @NatureComms! #compchem #moleculardynamics nature.com/articles/s4146…
Veronica Macaluso retweeted
How does the protein environment drive the photoactivation of #phytochromes? We can find out with #compchem #photochemistry simulations and #moleculardynamics ! Check out our paper published #openaccess in @NatureComms! @GSalvadori7 @LCupellini doi.org/10.1038/s41467…
Veronica Macaluso retweeted
What can one expect from the Ubuntu Proteomics summer school (ubuntuproteomics.co.za). Besides the great location, weather and fun activities... more on those topics to come soon 😊 But first some details on learning bit…
What can one expect from the Ubuntu Proteomics summer school (ubuntuproteomics.co.za). Besides the great location, weather and fun activities... more on those topics to come soon 😊 But first some details on learning bit…
Our saga on the #DeinococcusRadiodurans #Phytochrome is still ongoing! Check out this 2-years long computational study on the photo-induced isomerization of the embedded chromophore! #Phytochrome #biliverdin #SurfaceHopping #Photoreceptors @MolecolabPisa doi.org/10.26434/chemr…
Our saga on the #DeinococcusRadiodurans #Phytochrome is still ongoing! Check out this 2-years long computational study on the photo-induced isomerization of the embedded chromophore! #Phytochrome #biliverdin #SurfaceHopping #Photoreceptors @MolecolabPisa doi.org/10.26434/chemr…
Veronica Macaluso retweeted
The “Acceptable To Italians Index” is my new favorite set of metrics
Veronica Macaluso retweeted
How can the dynamics of a light-harvesting protein control the switch between an active and a quenched regime? We seek to answer this question w/ enhanced sampling and quantum chemistry in light-harvesting protein CP29. #compchem @NatureComms doi.org/10.1038/s41467… @ECignoni
Veronica Macaluso retweeted
What is the structure of the dark state of the AppA BLUF domain in solution? Check out our last paper! @BMennucci @shm_hashem @LCupellini @MicheleNottoli1 @VerMacaluso @MolecolabPisa #compchem pubs.rsc.org/en/content/art…
How to Assign Transient IR spectra of photoreceptors? Here we do it for AppA using QM/MM Molecular Dynamics and a SOBI transformation analysis. pubs.acs.org/doi/10.1021/ac…
Veronica Macaluso retweeted
Do you want to know more on the challenges for #compchem in describing biological function? Check out @BMennucci's lecture for the "Cesare Pisani" gold medal award! youtu.be/qzlI2TeyKmc?t=… (Lecture is in Italian)
Veronica Macaluso retweeted
What is the structure of #phytochromes in solution? Our last #compchem work in @chemsci investigates the structure of an activated form of phytochrome with #MolecularDynamics, taking the first step towards an atomistic description of the photo-activation. doi.org/10.1039/D1SC00…
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