Francesco Gentile

58 posts

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Francesco Gentile

Francesco Gentile

@fgentile9

Assistant Professor in the Department of Chemistry and Biomolecular Sciences @uOttawaCHM 🇨🇦 | Methods and applications of computer-aided drug discovery

Ottawa Katılım Ağustos 2019
168 Takip Edilen148 Takipçiler
Francesco Gentile retweetledi
Marco De Vivo
Marco De Vivo@devivo_marco·
just a kind reminder! Still looking for (ambitious) postdocs interested in simulations of RNA and nucleic acid-processing enzymes! Competitive salary and great environment! APPLY HERE! iit.taleo.net/careersection/…
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Francesco Gentile
Francesco Gentile@fgentile9·
Our Viewpoint on the (mis)use of molecular docking in drug discovery is finally out in @ChemSocRev! Very happy to have contributed to this together with leading experts in the field!
Chem Soc Rev@ChemSocRev

Don't miss this new Viewpoint article by Artem Cherkasov & co. 'Surely you are joking, Mr Docking!' The paper looks at the surge in molecular docking studies in the wake of the COVID-19 pandemic Read the Viewpoint article here 🔗 rsc.li/3R0GUcp

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Connor W. Coley
Connor W. Coley@cwcoley·
Our group has a new preprint out from @keiradams on shape-conditioned 3D molecular generation & drug design! Check out his summary thread and the article at arxiv.org/abs/2210.04893
Keir Adams@keiradams

Happy to share my new paper (arxiv.org/abs/2210.04893) with @cwcoley that introduces a new equivariant shape-conditioned generative model, SQUID, for generating chemically diverse 3D molecules in poses that fit a target shape. (1/9)

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Marco De Vivo
Marco De Vivo@devivo_marco·
Let me remind you! One postdoc on FEP in a real drug discovery scenario, where compounds are designed, synthesized, tested, patented, and developed into clinical candidates! In my lab @IITalk in collaboration with @IAMABiotech 💪 Come to have an impact on patients!!! 👇👇👇
Marco De Vivo@devivo_marco

HERE IT IS! 👇 Postdoc on FEP for drug design with us @IITalk in collab with @IAMABiotech Here is the call: iit.taleo.net/careersection/… An excellent opportunity to have an impact and make drugs! Come working with us! Please apply if interested, or RT !

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Francesco Gentile retweetledi
Marco De Vivo
Marco De Vivo@devivo_marco·
HERE IT IS! 👇 Postdoc on FEP for drug design with us @IITalk in collab with @IAMABiotech Here is the call: iit.taleo.net/careersection/… An excellent opportunity to have an impact and make drugs! Come working with us! Please apply if interested, or RT !
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UBC Life Sciences Institute
UBC Life Sciences Institute@ubclifesciences·
Drs. Natalie Strynadka and Mark Paetzel used super high-resolution imaging on crystal structures of #Mpro – the main viral protease in #SARSCoV2 – along with most of its target polyprotein cleavage sequences in a new @NatureComms study. Paper ➡️ go.nature.com/3UaeEF4
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Francesco Gentile
Francesco Gentile@fgentile9·
First day as PI at @uOttawaCHM: completed! I am very excited to be here and looking forward to do some cool research. Also, our lab website is finally up and running at gentilelab.uottawa.ca. Feedback is highly appreciated!
Francesco Gentile tweet media
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Francesco Gentile retweetledi
Kresten Lindorff-Larsen
Kresten Lindorff-Larsen@LindorffLarsen·
Looks interesting: IDPConformerGenerator samples φ, ψ, ω angles from the PDB and builds side chains using rotamer libraries. It supports Bayesian models for assessing agreement with experimental data, and conversion from internal to Cartesian coordinates biorxiv.org/content/10.110…
Kresten Lindorff-Larsen tweet media
bioRxiv Biophysics@biorxiv_biophys

IDPConformerGenerator: A Flexible Software Suite for Sampling Conformational Space of Disordered Protein States biorxiv.org/cgi/content/sh… #biorxiv_biophys

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Matthieu Schapira
Matthieu Schapira@mattschap·
Heads up! Virtual screening hits are almost in for CACHE competition #1: methods used by the 25 participants (physics-based and AI) will be released next week on cache-challenge.org. ~2000 compounds will be procured in the spring and experimentally tested in the summer!
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Francesco Gentile retweetledi
Artur Góra
Artur Góra@_artgora·
We are urgently searching for postodcs in protein chemistry and computational chemistry - 2 positions. Please RT.
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Francesco Gentile
Francesco Gentile@fgentile9·
Some big news🎉I'm pleased to announce that after 3 years at @VanProstateCtr, I will be joining @uOttawaCHM in August as assistant professor! Look forward to develop and apply novel methods for in silico ligand discovery. Stay tuned! #newPI
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Keşfet

@mvendruscolo14 @ChemSocRev @UNCPharmacy @keiradams @IITalk @IAMABiotech @NatureComms @CaroleYauk