Molecular Architect 💻⚛⌬⚗🧪💊 Post-doctoral researcher in Medicinal Chemistry, @CAMD_DISB @uniurbit Urbino, Italy, EU 🇮🇹🇪🇺 Born at 357 ppm.
Joined July 2020
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Gian Marco Elisi retweeted
Countries with the safest drinking water (EPI 2024):
1.🇩🇪 Germany: 100
2.🇬🇧 United Kingdom: 100
3.🇮🇹 Italy: 100
4.🇬🇷 Greece: 100
5.🇨🇭 Switzerland: 100
6.🇫🇮 Finland: 100
7.🇮🇪 Ireland: 100
8.🇳🇴 Norway: 99.9
9.🇱🇺 Luxembourg: 99.8
10.🇨🇦 Canada: 99.7
11.🇮🇸 Iceland: 99.4
12.🇦🇺 Australia: 99.2
13.🇦🇹 Austria: 99.2
14.🇸🇬 Singapore: 98.7
15.🇵🇹 Portugal: 97.6
16.🇸🇪 Sweden: 97.4
17.🇲🇹 Malta: 97.1
18.🇪🇸 Spain: 95.7
19.🇲🇪 Montenegro: 95.2
20.🇧🇪 Belgium: 93.9
21.🇮🇱 Israel: 93.8
22.🇩🇰 Denmark: 93.4
23.🇳🇱 Netherlands: 91.3
Gian Marco Elisi retweeted
It has been a long and challenging journey, but thanks to the hard work, professionalism, and resilience of everyone involved, we have successfully achieved this goal: pubs.acs.org/aidcbc/article/…
Gian Marco Elisi retweeted
Critical Assessment of a Structure-Based Pipeline for Targeting the Long Noncoding RNA MALAT1 #ncRNA
pubs.acs.org/doi/10.1021/acs…
@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/acs…
Gian Marco Elisi retweeted
Dear American citizens, whatever you wish more German citizens would have done in 1933, do that now.
Gian Marco Elisi retweeted
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
Gian Marco Elisi retweeted
Adiabatic-Bias Molecular Dynamics Simulations Reveal the Impact of Mutations on Muscarinic Antagonist Unbinding Kinetics #MolecularDynamics
pubs.acs.org/doi/10.1021/acs…
@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/acs… – at Solarolo, Emilia Romagna
Gian Marco Elisi retweeted
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!🕊️
Gian Marco Elisi retweeted
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
Gian Marco Elisi retweeted
#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”?
Gian Marco Elisi retweeted
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
nature.com/articles/s41573-0…
Gian Marco Elisi retweeted
Looking for a map of contacts between GPCR families? 🗺️
🔎 Explore our Meta-Analysis tool here: gpcrmd.org/contmaps
#GPCR #Bioinformatics #Clustering
Gian Marco Elisi retweeted
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/acs…
@jing_huang_ff
#JCIM Vol64 Issue19 #Review
Gian Marco Elisi retweeted
📢#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/pharmaceuti… @MDPIBiologySubj
Gian Marco Elisi retweeted
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/…
#StandWithBelarus
