Alessandro Nicoli
@anicoli90.bsky.social
💻 Computational chemist who loves to understand how biomolecules interact at the molecular level
📍 Molecular Modeling Group at the Leibniz Institute at the Technical University of Munich (DE)
📍 Molecular Modeling Group at the Leibniz Institute at the Technical University of Munich (DE)
Pinned
🎥The final session of this year's #2nd_GPCR_Forum_virtual_conference showcases the
🇺🇸 #GPCR community at #UCSF in the USA.
🎙️The chair is @amanglik.bsky.social and he has scheduled a wonderful lineup of #ECI speakers!
🔜 The session begins at 16:55 CET (< 1 hour). See you there!🤩
🇺🇸 #GPCR community at #UCSF in the USA.
🎙️The chair is @amanglik.bsky.social and he has scheduled a wonderful lineup of #ECI speakers!
🔜 The session begins at 16:55 CET (< 1 hour). See you there!🤩
🎥The final session of this year's #2nd_GPCR_Forum_virtual_conference showcases the
🇺🇸 #GPCR community at #UCSF in the USA.
🎙️The chair is @amanglik.bsky.social and he has scheduled a wonderful lineup of #ECI speakers!
🔜 The session begins at 16:55 CET (< 1 hour). See you there!🤩
🇺🇸 #GPCR community at #UCSF in the USA.
🎙️The chair is @amanglik.bsky.social and he has scheduled a wonderful lineup of #ECI speakers!
🔜 The session begins at 16:55 CET (< 1 hour). See you there!🤩
November 14, 2025 at 3:11 PM
🎥The final session of this year's #2nd_GPCR_Forum_virtual_conference showcases the
🇺🇸 #GPCR community at #UCSF in the USA.
🎙️The chair is @amanglik.bsky.social and he has scheduled a wonderful lineup of #ECI speakers!
🔜 The session begins at 16:55 CET (< 1 hour). See you there!🤩
🇺🇸 #GPCR community at #UCSF in the USA.
🎙️The chair is @amanglik.bsky.social and he has scheduled a wonderful lineup of #ECI speakers!
🔜 The session begins at 16:55 CET (< 1 hour). See you there!🤩
The 3rd day of the #2nd_GPCR_Forum_conference starts in a few minutes.
We begin with #GPCRLadies, where @tastelabhuji.bsky.social and Silvia Sposini have invited a magnificent lineup of speakers. Don't miss this!
🔗 GPCR ladies: gpcrladies.com
We begin with #GPCRLadies, where @tastelabhuji.bsky.social and Silvia Sposini have invited a magnificent lineup of speakers. Don't miss this!
🔗 GPCR ladies: gpcrladies.com
November 14, 2025 at 1:02 PM
The 3rd day of the #2nd_GPCR_Forum_conference starts in a few minutes.
We begin with #GPCRLadies, where @tastelabhuji.bsky.social and Silvia Sposini have invited a magnificent lineup of speakers. Don't miss this!
🔗 GPCR ladies: gpcrladies.com
We begin with #GPCRLadies, where @tastelabhuji.bsky.social and Silvia Sposini have invited a magnificent lineup of speakers. Don't miss this!
🔗 GPCR ladies: gpcrladies.com
🎙️2nd day of the #GPCRForum Virtual Conference 🎥
🇦🇺🇳🇿 Session 3: Australia and New Zeeland
🇪🇺 Session 4: #ECI contribution from Europe
#2ndGPCRForum #openscience #GPCR
🇦🇺🇳🇿 Session 3: Australia and New Zeeland
🇪🇺 Session 4: #ECI contribution from Europe
#2ndGPCRForum #openscience #GPCR
November 13, 2025 at 11:01 AM
🎙️2nd day of the #GPCRForum Virtual Conference 🎥
🇦🇺🇳🇿 Session 3: Australia and New Zeeland
🇪🇺 Session 4: #ECI contribution from Europe
#2ndGPCRForum #openscience #GPCR
🇦🇺🇳🇿 Session 3: Australia and New Zeeland
🇪🇺 Session 4: #ECI contribution from Europe
#2ndGPCRForum #openscience #GPCR
✨How can #bioinformatics, and #structuralbiology help us see the invisible: the molecular world behind our #sense of #smell?
🧬 Happy to share our first #review from the CPM group 💻
🔗 lnkd.in/dr9NkRTb
#GPCR #Olfaction #Bioinformatics #AI #ComputationalBiology #smell
🧬 Happy to share our first #review from the CPM group 💻
🔗 lnkd.in/dr9NkRTb
#GPCR #Olfaction #Bioinformatics #AI #ComputationalBiology #smell
November 10, 2025 at 12:58 PM
✨How can #bioinformatics, and #structuralbiology help us see the invisible: the molecular world behind our #sense of #smell?
🧬 Happy to share our first #review from the CPM group 💻
🔗 lnkd.in/dr9NkRTb
#GPCR #Olfaction #Bioinformatics #AI #ComputationalBiology #smell
🧬 Happy to share our first #review from the CPM group 💻
🔗 lnkd.in/dr9NkRTb
#GPCR #Olfaction #Bioinformatics #AI #ComputationalBiology #smell
🚨 Happening this Thursaday🚨
🗓️ 6 Nov 2025
⏱️ 16.00 - 17.00 CEST
We will host Dr. Simone Aureli from the University of Geneve.
You will receive the link via email if you are already a member of #GPCR_FORUM. If you haven't already, consider becoming a member to avoid missing any of our events.
🗓️ 6 Nov 2025
⏱️ 16.00 - 17.00 CEST
We will host Dr. Simone Aureli from the University of Geneve.
You will receive the link via email if you are already a member of #GPCR_FORUM. If you haven't already, consider becoming a member to avoid missing any of our events.
November 4, 2025 at 10:43 AM
🚨 Happening this Thursaday🚨
🗓️ 6 Nov 2025
⏱️ 16.00 - 17.00 CEST
We will host Dr. Simone Aureli from the University of Geneve.
You will receive the link via email if you are already a member of #GPCR_FORUM. If you haven't already, consider becoming a member to avoid missing any of our events.
🗓️ 6 Nov 2025
⏱️ 16.00 - 17.00 CEST
We will host Dr. Simone Aureli from the University of Geneve.
You will receive the link via email if you are already a member of #GPCR_FORUM. If you haven't already, consider becoming a member to avoid missing any of our events.
🗞️ Check out the exciting program for the 2nd GPCR Forum Conference!
🎥 Stay tuned in the coming days as we announce the detailed sessions. 🧬 #Youngscientists are invited to join and connect with #GPCR researchers worldwide!
🔗 Register now: gpcrforum.org/events/2nd-gpc…#GPCRForumu#opensciencece
🎥 Stay tuned in the coming days as we announce the detailed sessions. 🧬 #Youngscientists are invited to join and connect with #GPCR researchers worldwide!
🔗 Register now: gpcrforum.org/events/2nd-gpc…#GPCRForumu#opensciencece
November 2, 2025 at 8:58 AM
🗞️ Check out the exciting program for the 2nd GPCR Forum Conference!
🎥 Stay tuned in the coming days as we announce the detailed sessions. 🧬 #Youngscientists are invited to join and connect with #GPCR researchers worldwide!
🔗 Register now: gpcrforum.org/events/2nd-gpc…#GPCRForumu#opensciencece
🎥 Stay tuned in the coming days as we announce the detailed sessions. 🧬 #Youngscientists are invited to join and connect with #GPCR researchers worldwide!
🔗 Register now: gpcrforum.org/events/2nd-gpc…#GPCRForumu#opensciencece
⚡️Happening in less than an hour ⚡️
📢We resume the GPCR Zoominars on October 23rd! After a long pause, the #GPCR_ECI_Zoominar is back with a Café Session. On October 23rd, we host Prof. Hugo Gutiérrez de Terán, a professor and a CEO🤩! This happens at the usual time, i.e 4 pm CET.
Book your agenda📅
Book your agenda📅
October 23, 2025 at 1:36 PM
⚡️Happening in less than an hour ⚡️
Reposted by Alessandro Nicoli
📢We resume the GPCR Zoominars on October 23rd! After a long pause, the #GPCR_ECI_Zoominar is back with a Café Session. On October 23rd, we host Prof. Hugo Gutiérrez de Terán, a professor and a CEO🤩! This happens at the usual time, i.e 4 pm CET.
Book your agenda📅
Book your agenda📅
October 15, 2025 at 8:21 AM
📢We resume the GPCR Zoominars on October 23rd! After a long pause, the #GPCR_ECI_Zoominar is back with a Café Session. On October 23rd, we host Prof. Hugo Gutiérrez de Terán, a professor and a CEO🤩! This happens at the usual time, i.e 4 pm CET.
Book your agenda📅
Book your agenda📅
📢 Call for Abstracts! We encourage all researchers to submit an abstract for a poster presentation or flash talk — share your work with the GPCR community!
📷 Abstract submission deadline: October 24, 2025 📷
www.gpcrforum.org/events/2nd-g...
📷 Abstract submission deadline: October 24, 2025 📷
www.gpcrforum.org/events/2nd-g...
October 22, 2025 at 2:50 PM
📢 Call for Abstracts! We encourage all researchers to submit an abstract for a poster presentation or flash talk — share your work with the GPCR community!
📷 Abstract submission deadline: October 24, 2025 📷
www.gpcrforum.org/events/2nd-g...
📷 Abstract submission deadline: October 24, 2025 📷
www.gpcrforum.org/events/2nd-g...
📢We resume the GPCR Zoominars on October 23rd! After a long pause, the #GPCR_ECI_Zoominar is back with a Café Session. On October 23rd, we host Prof. Hugo Gutiérrez de Terán, a professor and a CEO🤩! This happens at the usual time, i.e 4 pm CET.
Book your agenda📅
Book your agenda📅
October 15, 2025 at 8:21 AM
📢We resume the GPCR Zoominars on October 23rd! After a long pause, the #GPCR_ECI_Zoominar is back with a Café Session. On October 23rd, we host Prof. Hugo Gutiérrez de Terán, a professor and a CEO🤩! This happens at the usual time, i.e 4 pm CET.
Book your agenda📅
Book your agenda📅
🚀 Hey #GPCR community on #bluesky!
🌍 The 2nd GPCR Forum Virtual Conference is taking place!🧬
📅 Nov 12–14, 2025
This 3-day virtual event will bring together scientists and researchers from around the world to explore the latest breakthroughs in GPCR!
#GPCRforum #ScienceTogether
🌍 The 2nd GPCR Forum Virtual Conference is taking place!🧬
📅 Nov 12–14, 2025
This 3-day virtual event will bring together scientists and researchers from around the world to explore the latest breakthroughs in GPCR!
#GPCRforum #ScienceTogether
October 6, 2025 at 12:45 PM
🚀 Hey #GPCR community on #bluesky!
🌍 The 2nd GPCR Forum Virtual Conference is taking place!🧬
📅 Nov 12–14, 2025
This 3-day virtual event will bring together scientists and researchers from around the world to explore the latest breakthroughs in GPCR!
#GPCRforum #ScienceTogether
🌍 The 2nd GPCR Forum Virtual Conference is taking place!🧬
📅 Nov 12–14, 2025
This 3-day virtual event will bring together scientists and researchers from around the world to explore the latest breakthroughs in GPCR!
#GPCRforum #ScienceTogether
Reposted by Alessandro Nicoli
I am thrilled to release ProteinDJ: a high-performance and modular protein design pipeline. Our open-source workflow incorporates #RFdiffusion, #ProteinMPNN, #FAMPNN, #AlphaFold2 and #Boltz-2. It is a fast, free, and fun way to design proteins (1/5)
doi.org/10.1101/2025.09.24.678028 #proteindesign
doi.org/10.1101/2025.09.24.678028 #proteindesign
September 28, 2025 at 9:16 PM
I am thrilled to release ProteinDJ: a high-performance and modular protein design pipeline. Our open-source workflow incorporates #RFdiffusion, #ProteinMPNN, #FAMPNN, #AlphaFold2 and #Boltz-2. It is a fast, free, and fun way to design proteins (1/5)
doi.org/10.1101/2025.09.24.678028 #proteindesign
doi.org/10.1101/2025.09.24.678028 #proteindesign
Great opportunity to present my work on #MDsimulations of #ORs at #ECRO25, along side many inspiring scientists 🤩
👩🏻🏫 Greatful to @tastelabhuji.bsky.social for organizing such an excellent symposium.
🙏🏻 Huge thanks to #LSB and @antonelladipizio.bsky.social for their constant support!!
👩🏻🏫 Greatful to @tastelabhuji.bsky.social for organizing such an excellent symposium.
🙏🏻 Huge thanks to #LSB and @antonelladipizio.bsky.social for their constant support!!
September 22, 2025 at 2:11 PM
Great opportunity to present my work on #MDsimulations of #ORs at #ECRO25, along side many inspiring scientists 🤩
👩🏻🏫 Greatful to @tastelabhuji.bsky.social for organizing such an excellent symposium.
🙏🏻 Huge thanks to #LSB and @antonelladipizio.bsky.social for their constant support!!
👩🏻🏫 Greatful to @tastelabhuji.bsky.social for organizing such an excellent symposium.
🙏🏻 Huge thanks to #LSB and @antonelladipizio.bsky.social for their constant support!!
👋🏻 #bluesky GPCR
🚀 Want to get to know me a bit better?
⚗️ Curious about what I’ve been working on?
I had a fun chatting on the Dr. GPCR #podcast to talk about my #journey, #research, and everything in between!
🎥 Watch on YouTube: lnkd.in/gzGQYX-x
🔗 Podcast: lnkd.in/gbcGj_HH
#GPCR #compchem
🚀 Want to get to know me a bit better?
⚗️ Curious about what I’ve been working on?
I had a fun chatting on the Dr. GPCR #podcast to talk about my #journey, #research, and everything in between!
🎥 Watch on YouTube: lnkd.in/gzGQYX-x
🔗 Podcast: lnkd.in/gbcGj_HH
#GPCR #compchem
August 5, 2025 at 3:08 PM
👋🏻 #bluesky GPCR
🚀 Want to get to know me a bit better?
⚗️ Curious about what I’ve been working on?
I had a fun chatting on the Dr. GPCR #podcast to talk about my #journey, #research, and everything in between!
🎥 Watch on YouTube: lnkd.in/gzGQYX-x
🔗 Podcast: lnkd.in/gbcGj_HH
#GPCR #compchem
🚀 Want to get to know me a bit better?
⚗️ Curious about what I’ve been working on?
I had a fun chatting on the Dr. GPCR #podcast to talk about my #journey, #research, and everything in between!
🎥 Watch on YouTube: lnkd.in/gzGQYX-x
🔗 Podcast: lnkd.in/gbcGj_HH
#GPCR #compchem
Reposted by Alessandro Nicoli
Looking for a home for your structural biology paper?
We welcome studies that advance our understanding of molecular mechanisms in biology, using experimental and computational approaches to provide quantitative insights.
See what we publish ⬇️
We welcome studies that advance our understanding of molecular mechanisms in biology, using experimental and computational approaches to provide quantitative insights.
See what we publish ⬇️
Structural Biology and Molecular Biophysics
eLife reviews research that uses techniques including X-ray crystallography, cryo-EM and single-molecule methods. Learn more about what we review and sign up for the latest research.
buff.ly
July 31, 2025 at 1:44 PM
Looking for a home for your structural biology paper?
We welcome studies that advance our understanding of molecular mechanisms in biology, using experimental and computational approaches to provide quantitative insights.
See what we publish ⬇️
We welcome studies that advance our understanding of molecular mechanisms in biology, using experimental and computational approaches to provide quantitative insights.
See what we publish ⬇️
Reposted by Alessandro Nicoli
What better way to use my first proper post than to share my first big piece of post-doctoral work with @cg-martini.bsky.social!
Here, we used integrative modelling to build and simulate a mitochondrial cristae.
Find the paper here (rdcu.be/eujAC) or see below for a quick overview 👇
Here, we used integrative modelling to build and simulate a mitochondrial cristae.
Find the paper here (rdcu.be/eujAC) or see below for a quick overview 👇
July 1, 2025 at 3:34 PM
What better way to use my first proper post than to share my first big piece of post-doctoral work with @cg-martini.bsky.social!
Here, we used integrative modelling to build and simulate a mitochondrial cristae.
Find the paper here (rdcu.be/eujAC) or see below for a quick overview 👇
Here, we used integrative modelling to build and simulate a mitochondrial cristae.
Find the paper here (rdcu.be/eujAC) or see below for a quick overview 👇
Reposted by Alessandro Nicoli
“The assessment of monomer targets in the Critical Assessment of Structure Prediction Round 16 (CASP16) underscores that the problem of single-domain protein fold prediction is nearly solved--no target folds were missed across all Evaluation Units.”
CASP16 protein monomer structure prediction assessment https://www.biorxiv.org/content/10.1101/2025.05.29.656942v1
June 2, 2025 at 8:42 PM
“The assessment of monomer targets in the Critical Assessment of Structure Prediction Round 16 (CASP16) underscores that the problem of single-domain protein fold prediction is nearly solved--no target folds were missed across all Evaluation Units.”
Reposted by Alessandro Nicoli
Been thinking about biomembranes? Wondering what next decade of research will be?
Wonder no more: there's an awesome conference coming up in Copenhagen in July!!
From simulations to cells and everything in between.
5 days left to submit abstract - APPLY!
www.biophysics.org/blog/beyond-...
Wonder no more: there's an awesome conference coming up in Copenhagen in July!!
From simulations to cells and everything in between.
5 days left to submit abstract - APPLY!
www.biophysics.org/blog/beyond-...
Beyond Simple Models: The Consequences of Membrane Complexity in Living Systems - Copenhagen, Denmark 2025
Dear Colleagues,
We are excited to announce the Biophysical Society Thematic Meeting on Beyond Simple Models: The Consequences of Membrane Complexity in Living Systems. This meeting will be held in ...
www.biophysics.org
May 7, 2025 at 9:36 PM
Been thinking about biomembranes? Wondering what next decade of research will be?
Wonder no more: there's an awesome conference coming up in Copenhagen in July!!
From simulations to cells and everything in between.
5 days left to submit abstract - APPLY!
www.biophysics.org/blog/beyond-...
Wonder no more: there's an awesome conference coming up in Copenhagen in July!!
From simulations to cells and everything in between.
5 days left to submit abstract - APPLY!
www.biophysics.org/blog/beyond-...
Reposted by Alessandro Nicoli
Results from CASP16 on predicting conformational ensembles of 2 domain-linker-domain constructs. Happy to see that CALVADOS 3 and our two rescaled versions of Martini do well in matching SAXS data in blind tests. But the results also show that lots remain to be done in modelling domain orientations
April 29, 2025 at 8:32 PM
Results from CASP16 on predicting conformational ensembles of 2 domain-linker-domain constructs. Happy to see that CALVADOS 3 and our two rescaled versions of Martini do well in matching SAXS data in blind tests. But the results also show that lots remain to be done in modelling domain orientations
Reposted by Alessandro Nicoli
Harvard University: “We have informed the [Trump Administration] through our legal counsel that we will not accept their proposed agreement. The University will not surrender its independence or relinquish its constitutional rights.”
👏🏼👏🏼👏🏼
view.hu.harvard.edu?qs=351b45ebf...
👏🏼👏🏼👏🏼
view.hu.harvard.edu?qs=351b45ebf...
view.hu.harvard.edu
April 14, 2025 at 6:57 PM
Harvard University: “We have informed the [Trump Administration] through our legal counsel that we will not accept their proposed agreement. The University will not surrender its independence or relinquish its constitutional rights.”
👏🏼👏🏼👏🏼
view.hu.harvard.edu?qs=351b45ebf...
👏🏼👏🏼👏🏼
view.hu.harvard.edu?qs=351b45ebf...
Reposted by Alessandro Nicoli
I’ve just updated the BioEmu notebook to include the powerful LogMD. Now, you can generate equilibrium ensembles and explore the full ensemble directly in the notebook.
A huge thanks to Alexander Mathiasen for the support! 🙌
🔗 Try it on Google Colab: lnkd.in/gcuqd-fT
A huge thanks to Alexander Mathiasen for the support! 🙌
🔗 Try it on Google Colab: lnkd.in/gcuqd-fT
March 20, 2025 at 6:09 PM
I’ve just updated the BioEmu notebook to include the powerful LogMD. Now, you can generate equilibrium ensembles and explore the full ensemble directly in the notebook.
A huge thanks to Alexander Mathiasen for the support! 🙌
🔗 Try it on Google Colab: lnkd.in/gcuqd-fT
A huge thanks to Alexander Mathiasen for the support! 🙌
🔗 Try it on Google Colab: lnkd.in/gcuqd-fT
Reposted by Alessandro Nicoli
“Any paper referring to a docking score or MMGBSA as a "binding energy" should be desk rejected” - words of wisdom from Pat Walters. 💯 % agree and will try to implement as JCIM policy 😈 #skychem #compchem
a raccoon is sitting on its hind legs with its hands folded in prayer .
ALT: a raccoon is sitting on its hind legs with its hands folded in prayer .
media.tenor.com
April 11, 2025 at 10:01 PM
Reposted by Alessandro Nicoli
Our community letter on #FAIR principles in #moleculardynamics simulations has been published on @naturemethods.bsky.social 🎉
📢 Our article calling for a #FAIR database for #MolecularDynamics simulation data has now been peer-reviewed and published in @naturemethods.bsky.social
📖 Read it here: rdcu.be/ef6YX
📝 Support the statement: bit.ly/3zVS3qm
#MDDB #FAIRdata #collaboration
📖 Read it here: rdcu.be/ef6YX
📝 Support the statement: bit.ly/3zVS3qm
#MDDB #FAIRdata #collaboration
April 5, 2025 at 9:56 AM
Our community letter on #FAIR principles in #moleculardynamics simulations has been published on @naturemethods.bsky.social 🎉
🚀 NEW collaborative paper in @naturecomms.bsky.social
💡 #MD help exploring W350 dynamics with different ligands!
🔍 paper: lnkd.in/dWQuEQPV
🌍 Collaboration between #TUM, #KAUST, #LSB @antonelladipizio.bsky.social
🎨 Thanks to @bradyajohnston.bsky.social for #GeometryNodes!
#PDB #CompChem #Blender
💡 #MD help exploring W350 dynamics with different ligands!
🔍 paper: lnkd.in/dWQuEQPV
🌍 Collaboration between #TUM, #KAUST, #LSB @antonelladipizio.bsky.social
🎨 Thanks to @bradyajohnston.bsky.social for #GeometryNodes!
#PDB #CompChem #Blender
April 4, 2025 at 12:51 PM
🚀 NEW collaborative paper in @naturecomms.bsky.social
💡 #MD help exploring W350 dynamics with different ligands!
🔍 paper: lnkd.in/dWQuEQPV
🌍 Collaboration between #TUM, #KAUST, #LSB @antonelladipizio.bsky.social
🎨 Thanks to @bradyajohnston.bsky.social for #GeometryNodes!
#PDB #CompChem #Blender
💡 #MD help exploring W350 dynamics with different ligands!
🔍 paper: lnkd.in/dWQuEQPV
🌍 Collaboration between #TUM, #KAUST, #LSB @antonelladipizio.bsky.social
🎨 Thanks to @bradyajohnston.bsky.social for #GeometryNodes!
#PDB #CompChem #Blender
🎙️Happy to have presented my #Postdoctoral project at the Weihenstephan #Bioinformatics Symposium 2025 organized by Prof. @itisalist.bsky.social and by the amazing team @daisybio.de at #TUM!!!
Learned a lot about the exciting science around #TUM ann #LMU 🤓
#compchem #MD #chemosensory #GPCR
Learned a lot about the exciting science around #TUM ann #LMU 🤓
#compchem #MD #chemosensory #GPCR
April 4, 2025 at 12:17 PM
🎙️Happy to have presented my #Postdoctoral project at the Weihenstephan #Bioinformatics Symposium 2025 organized by Prof. @itisalist.bsky.social and by the amazing team @daisybio.de at #TUM!!!
Learned a lot about the exciting science around #TUM ann #LMU 🤓
#compchem #MD #chemosensory #GPCR
Learned a lot about the exciting science around #TUM ann #LMU 🤓
#compchem #MD #chemosensory #GPCR