Gian Marco Elisi

Critical Assessment of a Structure-Based Pipeline for Targeting the Long Noncoding RNA MALAT1 #ncRNA pubs.acs.org/doi/10.1021/ac… @mattia_bee @parsec93 @uniurbit #JCIM Vol66 Issue7 #PharmaceuticalModeling

🧬 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 pubs.acs.org/doi/10.1021/ac…

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

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.

⚗️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 tinyurl.com/3uym9dkb

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. tinyurl.com/5n67zmxp

Adiabatic-Bias Molecular Dynamics Simulations Reveal the Impact of Mutations on Muscarinic Antagonist Unbinding Kinetics #MolecularDynamics pubs.acs.org/doi/10.1021/ac… @ChiaravalleAnna @parsec93 @CAMD_DISB @uniurbit #JCIM Vol65 Issue13 #PharmaceuticalModeling

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/doi/10.1021/ac…

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!🕊️

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

#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”?

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 #Ack1" target="_blank" rel="nofollow noopener">nature.com/articles/s4157…

Looking for a map of contacts between GPCR families? 🗺️ 🔎 Explore our Meta-Analysis tool here: gpcrmd.org/contmaps #GPCR #Bioinformatics #Clustering

Alchemical Transformations and Beyond: Recent Advances and Real-World Applications of Free Energy Calculations in Drug Discovery #DrugDiscovery #FEP pubs.acs.org/doi/10.1021/ac… @jing_huang_ff #JCIM Vol64 Issue19 #Review

Notte dei Ricercatori @uniurbit @CAMD_DISB #SHARPER

Disva-Masbic Symposium #PCVsquad #biophysics

📢#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 mdpi.com/journal/pharma… @MDPIBiologySubj

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: tsikhanouskaya.org/en/event/day-o… #StandWithBelarus

2024 is 60% complete.

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 ➡️allodd-itn.eu/blog/discoveri…