Gian Marco Elisi

Molecular Architect 💻⚛⌬⚗🧪💊
Post-doctoral researcher in Medicinal Chemistry, @CAMD_DISB @uniurbit
Urbino, Italy, EU 🇮🇹🇪🇺
Born at 357 ppm.

[JCIM & JCTC Journals @JCIM_JCTC]

Critical Assessment of a Structure-Based Pipeline for Targeting the Long Noncoding RNA MALAT1 #ncRNA
https://t.co/bW3rkf2WHX
@mattia_bee @parsec93 @uniurbit
#JCIM Vol66 Issue7 #PharmaceuticalModeling

[Gian Marco Elisi @parsec93]

🧬 lncRNA #MALAT1 as a case study to test docking on flexible #RNA targets for #drugdiscovery. HREX MD revealed two sites, whose druggability was assessed through ensemble docking of 21 diminazene derivatives and multiple scoring functions. @JCIM_JCTC
https://t.co/y2msoXsT0k

[Andrea Junker @Strandjunker]

Dear American citizens, whatever you wish more German citizens would have done in 1933, do that now.

[Kamala Harris @KamalaHarris]

What we are witnessing is an outright abuse of power.

This administration is attacking critics and using fear as a weapon to silence anyone who would speak out. Media corporations — from television networks to newspapers — are capitulating to these threats.

We cannot dare to be silent or complacent in the face of this frontal assault on free speech.

We, the People, deserve better.

[Gian Marco Elisi @parsec93]

⚗️Pyrazolo-piperidinone inhibitors that disrupt YAP-TEAD PPI interface 3
🧪New class via virtual screening & MD
🧪Binding confirmed by fluorescence anisotropy
🧪Active in colorectal & ovarian cancer cells
🧪MS-proteomic confirm TEAD-genes downregulation
https://t.co/ty6zBheJMk

[Gian Marco Elisi @parsec93]

Our latest literature review on the impact of #GPCR conformation on #signalingbias. We explore the state of the art of biophysical techniques and molecular dynamics simulations in understanding the mechanism of biased compounds.
https://t.co/oXJReVAjzt

[JCIM & JCTC Journals @JCIM_JCTC]

Adiabatic-Bias Molecular Dynamics Simulations Reveal the Impact of Mutations on Muscarinic Antagonist Unbinding Kinetics #MolecularDynamics
https://t.co/FD2yKZ8LKz
@ChiaravalleAnna @parsec93 @CAMD_DISB @uniurbit
#JCIM Vol65 Issue13 #PharmaceuticalModeling

[Gian Marco Elisi @parsec93]

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 https://t.co/DTnljObbZx

[Ukr Embassy to Italy @UKRinIT]

In questi giorni, quando milioni di ucraini celebrano la Pasqua con preghiere per la pace, ricordiamo i profondi significati che simboleggia questa festa: la vittoria della vita sulla morte, della luce sulle tenebre e del bene sul male.
Buona Pasqua!🕊️

[CECAM @cecamEvents]

We have started Day 2 for the workshop "Predicting and understanding drug-target binding kinetics via molecular simulations" in CECAM-HQ!
@Chris_de_Graaf and Christa Müller have started this morning's program.
Co-organised by: @Rebecca_Wade_C, @anunesalves, S. Wolf & G. Bottegoni

[Quirinale @Quirinale]

#Mattarella: l’Europa può accettare di essere schiacciata tra oligarchie e autocrazie?
Con, al massimo, la prospettiva di un “vassallaggio felice”.
Bisogna scegliere: essere “protetti” oppure essere “protagonisti”?

[Matthew Eddy @MatthewEddyLab]

New review article in @NatRevDrugDisc on Functional Dynamics of GPCRs, based on discussions from a great CECAM GPCR meeting. Congrats to Vittorio, Paolo, and all the other coauthors! #NMR #NMRchat
https://t.co/OaP8dXCd7r

[GPCRmd @GPCRmd]

Looking for a map of contacts between GPCR families? 🗺️

🔎 Explore our Meta-Analysis tool here: https://t.co/FGqLSfjqx2

#GPCR #Bioinformatics #Clustering

[JCIM & JCTC Journals @JCIM_JCTC]

Alchemical Transformations and Beyond: Recent Advances and Real-World Applications of Free Energy Calculations in Drug Discovery #DrugDiscovery #FEP
https://t.co/r7U24s9jQh
@jing_huang_ff
#JCIM Vol64 Issue19 #Review

[Gian Marco Elisi @parsec93]

Notte dei Ricercatori @uniurbit @CAMD_DISB #SHARPER

[Gian Marco Elisi @parsec93]

Disva-Masbic Symposium #PCVsquad #biophysics

[Pharmaceuticals MDPI @Pharmaceut_MDPI]

📢#Specialissue: #Indole Derivatives as Targeted #Melatonin and #Serotonin #Receptor #Ligands
⏰Deadline: 23 February 2025
🎓Guest Editors: Dr. Michele Retini and Dr. Gian Marco Elisi
📖Find out more at https://t.co/UVWzIQUMr2 @MDPIBiologySubj

[Sviatlana Tsikhanouskaya @Tsihanouskaya]

Belarusians need solidarity & support to continue on the path to freedom. Learn more about what you can do tomorrow on the International Day of Solidarity with Belarus:

https://t.co/smszO10vIR

#StandWithBelarus

[Progress Bar 2026 @ProgressBar202_]

2024 is 60% complete.

[ALLODD @ALLODD_ITN]

Check the new Blogpost "Discovering the world of computational drug discovery" by ESR6 Sigrid Pedersen and find out more about her experiences with computational drug discovery during her secondment at Urbino, Italy
🎓💊#allostery #phdlife #ALLODD
➡️https://t.co/2Gt7njyKtW