Laura Scalvini
@ScalviniLaura
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Med chem & Comp chem at the University of Parma
Joined July 2020
Enhanced sampling on a prototypical GPCR system: using adiabatic bias MD and path collective variables on the Tautermann's dataset of M3 receptor mutants, showing the impact of mutations on ligand residence time and metastable states @JCIM_JCTC @CAMD_DISB
pubs.acs.org
Ligand–target dissociation rates (koff) strongly correlate with efficacy and safety profiles, as well as with the therapeutic effect of drugs. As a prototypical example, muscarinic receptor antagon...
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JAK3 Inhibitors: Covalent and Noncovalent Interactions of a Cyanamide Group Investigated by Multiscale Free-Energy Simulations #MolecularDynamics
https://t.co/bLFZbTZhIb
@ScalviniLaura @alessio_lodola @andrrizzi
#JCIM Vol65 Issue3 #compchem
pubs.acs.org
Janus kinase type 3 (JAK3), an emerging target for treating autoimmune diseases, possesses a front pocket cysteine that is targeted by covalent modifiers, best represented by the marketed drug...
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The 6th edition of #TrEnCa meeting organized by @BioComp_UJI is coming soon with a list of excellent speakers. See you in Villa Elisa and Hotel @HVORAMAR in #Benicassim. @AytoBenicassim,@inam_uji, @UJIuniversitat, @GVAinnova, @SEBiot_ #CienciaUJI
https://t.co/y7Uea7oJ64
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Alla docente #unipr Franca Zanardi la Medaglia “Adolfo Quilico” della Società #Chimica Italiana. Il riconoscimento assegnato dalla Divisione di Chimica Organica @SocChimIta
https://t.co/zYhD9EWq35
unipr.it
Il riconoscimento assegnato dalla Divisione di Chimica Organica
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Thanks to @alessio_lodola and @BorsariChiara for the workshop about covalent inhibition at @esmecurbino @uniurbit #makeitunbreakable
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I am looking for a candidate for a PhD position at the University of Parma, working on Big Data Analysis applied to Drug Design (FutureData4EU) The salary is competitive and the environment highly stimulating! Apply now! https://t.co/nTYMFGoQe3
#compchem #HPC
site.unibo.it
The project will train a new generation of qualified experts in the complex cultural, organisational, environmental, technological and political dynamics linked to the application of Big Data.
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Our paper on binding kinetics of #melatonin receptors now on the Journal of Pineal Research @WileyNeuro provides new data from radioligand dissociation, corroborated by free-energy simulations. UCM1014 in enantiopure form is also tested for the first time. https://t.co/2HsDwP9JMe
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Molecular Determinants of EphA2 and EphB2 Antagonism Enable the Design of Ligands with Improved Selectivity #DrugDesign #MolecularDynamics
https://t.co/1PWsWWj4Mg
@ScalviniLaura @FraGalvani_96 @alessio_lodola @unipr
#JCIM Vol63 Issue21 #PharamceuticalModeling
pubs.acs.org
With the aim of identifying novel antagonists selective for the EphA receptor family, a combined experimental and computational approach was taken to investigate the molecular basis of the recognit...
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@CruzKemel presented his last results on our studies of inhibition of cruzain at the Pharma Summer School @PharmaSummer held in Parma, organized by @alessio_lodola and @ScalviniLaura. #pharmasummerschool
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The @PharmaSummer is an amazing opportunity to share breakthroughs in drug research and development. Elisa Donati, computational chemistry scientist at Acellera, presented our solutions for investigating allosteric agents. https://t.co/LPCjH23sKH
https://t.co/UVG20Gr2t1
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It's been so good to be back for the #europin Vienna Summer School on Drug Design. Thank you so much @EckerGerhard
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Tomorrow our Computational Scientist Elisa Donati will participate as lecturer at @PharmaSummer School. A pleasure @alessio_lodola @ScalviniLaura @parsec93 @mlbolognesi @lab_colombo @MariaPaolaCosti @zoecournia @devivo_marco @keseru @vicente_moliner @AdrianMulholla1 @g_sbardella.
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Pharma Summer School @PharmaSummer - opening day. A great success with an outstanding lineup of speakers! Thanks to @DCFSCI and to Regione Emilia-Romagna for support
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N-anilinoethylamide derivatives as #melatonin receptor ligands with increased water #solubility and with potential application in NREM #sleep architecture regulation @ChemMedChem
https://t.co/pM1b22BKYU
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#Ricerca di alta qualità al servizio di una società sostenibile: presentati i progetti dei #DipartimentidiEccellenza #unipr selezionati dal @mur_gov_ per il quinquennio 2023-2027 #RicercaUnipr
https://t.co/Sxghd2FuVK
unipr.it
Presentati i progetti dei Dipartimenti di Eccellenza selezionati dal MUR per il quinquennio 2023-2027
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Great talk by @alessio_lodola on targeting the catalytic Lys745 of #EGFR as a new strategy to overcome resistance due to C797S mutation. See the published @JCIM_JCTC article, also in the cover of the issue! https://t.co/ORGpjX321J
#SBDD23
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Finally out our paper on quantitative structure-kinetics relationships in collaboration with Chiesi Farmaceutici. Thanks to @FraGalvani_96 @ScalviniLaura, Marco Mor, Alberto Cuzzolin, @PalaDaniele & Andrea Rizzi #compchem
https://t.co/XnEb4KlH3c
pubs.acs.org
The residence time (RT), the time for which a drug remains bound to its biological target, is a critical parameter for drug design. The prediction of this key kinetic property has been proven to be...
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#foodsafety : la docente di #unipr @chiara_dallasta entra nel gruppo di esperti sugli #additivi alimentari di @FAO e @WHO_Europe Per il quinquennio 2023-2027. Solo sei gli italiani presenti. Con lei @michelesuman di @barillagroup
https://t.co/O28fhdrSAe
unipr.it
Per il quinquennio 2023-2027. Solo sei gli italiani presenti. Con lei Michele Suman di Barilla
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