Dima Lupyan
@newyorkdimka.bsky.social
Computational Chemist/Alchemist/Product Manager @ Schrödinger Inc.
Excited to announce our paper on small-molecule Unbinding Kinetics in the JCIM! We introduce an automated physics-based scheme to accurately predict absolute drug residence times (τ) - without any parameter tuning. A huge congratulations to the entire team!
doi.org/10.1021/acs.jcim.5c01832
doi.org/10.1021/acs.jcim.5c01832
December 11, 2025 at 2:13 AM
Excited to announce our paper on small-molecule Unbinding Kinetics in the JCIM! We introduce an automated physics-based scheme to accurately predict absolute drug residence times (τ) - without any parameter tuning. A huge congratulations to the entire team!
doi.org/10.1021/acs.jcim.5c01832
doi.org/10.1021/acs.jcim.5c01832
Reposted by Dima Lupyan
The moment you've been waiting for is here: Registration is NOW OPEN for The 2026 Alchemistry Workshop in Free Energy Methods for Drug Design!
Where: UPF Campus Ciutadella
When: May 4-6, 2026
🔗 Register Today: www.zeffy.com/en-US/ticket...
Where: UPF Campus Ciutadella
When: May 4-6, 2026
🔗 Register Today: www.zeffy.com/en-US/ticket...
LinkedIn
This link will take you to a page that’s not on LinkedIn
lnkd.in
December 8, 2025 at 5:49 PM
The moment you've been waiting for is here: Registration is NOW OPEN for The 2026 Alchemistry Workshop in Free Energy Methods for Drug Design!
Where: UPF Campus Ciutadella
When: May 4-6, 2026
🔗 Register Today: www.zeffy.com/en-US/ticket...
Where: UPF Campus Ciutadella
When: May 4-6, 2026
🔗 Register Today: www.zeffy.com/en-US/ticket...
Florence Duomo looks very dramatic tonight.
November 24, 2025 at 6:52 PM
Florence Duomo looks very dramatic tonight.
The recorded videos are HERE! We've finally posted all the recorded talks from the Boston's Free Energy Workshop 2025.
If you missed the event, now's your chance to catch up!
youtube.com/playlist?lis...
If you missed the event, now's your chance to catch up!
youtube.com/playlist?lis...
October 20, 2025 at 6:11 PM
Mark your calendars!
Save the date, my fellow computational alchemists! The upcoming '26 Workshop on Free Energy Methods in Drug Design will be held in Barcelona, Spain, on May 4-6, 2026. The registration link will be sent soon!
September 23, 2025 at 5:38 PM
Mark your calendars!
Mark your calendars!
September 23, 2025 at 4:24 PM
Mark your calendars!
Computational chemist action figure (imagen 3)
April 12, 2025 at 2:30 PM
Computational chemist action figure (imagen 3)
The schedule is up! I'm chairing the @schrodingerinc.bsky.social session!
April 11, 2025 at 6:33 PM
The schedule is up! I'm chairing the @schrodingerinc.bsky.social session!
Is there a different narrative?
April 9, 2025 at 10:47 PM
Is there a different narrative?
Senator Cory Booker:
a man in a suit and bow tie is standing in front of a blackboard and making a funny face .
Alt: a man in a suit and bow tie is standing in front of a blackboard and making a funny face .
media.tenor.com
April 2, 2025 at 2:41 AM
Senator Cory Booker:
Reposted by Dima Lupyan
Today’s Daily Cartoon, by Becky Barnicoat. #NewYorkerCartoons www.newyorker.com/newsletter/h...
March 28, 2025 at 6:10 PM
Today’s Daily Cartoon, by Becky Barnicoat. #NewYorkerCartoons www.newyorker.com/newsletter/h...
The Free Energy Workshop (feworkshop.bsky.social) will happen on May 6-8th. If you're an unemployed #CompChem modeller or researcher and want to attend to network but cannot afford the $215 registration fee, please DM me.
Free Energy Workshop 2025 (@feworkshop.bsky.social)
Organizing the largest workshop concerning Free Energy calculations within the United States.
feworkshop.bsky.social
March 28, 2025 at 4:34 PM
The Free Energy Workshop (feworkshop.bsky.social) will happen on May 6-8th. If you're an unemployed #CompChem modeller or researcher and want to attend to network but cannot afford the $215 registration fee, please DM me.
Reposted by Dima Lupyan
Just want to say again I’m grateful for the people doing their best to hold it down at the NIH despite the chaos and uncertainty. I see you 🙌🏾
March 27, 2025 at 9:38 PM
Just want to say again I’m grateful for the people doing their best to hold it down at the NIH despite the chaos and uncertainty. I see you 🙌🏾
Boston community, join me this Friday at noon outside the MA State House (downtown).
March 3, 2025 at 9:52 PM
Boston community, join me this Friday at noon outside the MA State House (downtown).
Volume --11, logic -- 0
March 1, 2025 at 6:35 PM
Volume --11, logic -- 0
Reposted by Dima Lupyan
Stand with UKRAINE! #standWithUkraine
February 28, 2025 at 9:16 PM
Stand with UKRAINE! #standWithUkraine
Reposted by Dima Lupyan
Registration for the Free Energy Workshop is Now Open!
www.zeffy.com/ticketing/re...
www.zeffy.com/ticketing/re...
February 25, 2025 at 3:56 PM
Registration for the Free Energy Workshop is Now Open!
www.zeffy.com/ticketing/re...
www.zeffy.com/ticketing/re...
On the 3rd year anniversary of Russia invading Ukraine, repeat after me: "Russian warship, go f*ck yourself!" #SlavaUkraini
February 24, 2025 at 12:45 AM
On the 3rd year anniversary of Russia invading Ukraine, repeat after me: "Russian warship, go f*ck yourself!" #SlavaUkraini
Reposted by Dima Lupyan
Reposted by Dima Lupyan
I’m George Takei and I approve of this message.
February 19, 2025 at 3:47 PM
I’m George Takei and I approve of this message.
🌍 In the world of drug discovery, knowing a drug's residence time (τ) on its target can significantly impact its efficacy. Our new study presents innovative methods for predicting τ efficiently and accurately! 🧵🧵🧵
February 14, 2025 at 3:40 AM
🌍 In the world of drug discovery, knowing a drug's residence time (τ) on its target can significantly impact its efficacy. Our new study presents innovative methods for predicting τ efficiently and accurately! 🧵🧵🧵
TechTrio
January 31, 2025 at 1:09 AM
TechTrio
Just calculated the potential value of my @schrodingerinc.bsky.social stock. Turns out, if everything goes perfectly, I might be able to afford that Nvidia card... In 10 years.
hntrbrk.com/schrodinger
hntrbrk.com/schrodinger
Schrödinger: The Nvidia Biotech Partner Jensen Huang Told To “Think Bigger”
Is it a turning point?
hntrbrk.com
January 30, 2025 at 10:32 PM
Just calculated the potential value of my @schrodingerinc.bsky.social stock. Turns out, if everything goes perfectly, I might be able to afford that Nvidia card... In 10 years.
hntrbrk.com/schrodinger
hntrbrk.com/schrodinger
Reposted by Dima Lupyan
Things are going to sh*t right now, so this seems appropriate.
January 29, 2025 at 3:03 PM
Things are going to sh*t right now, so this seems appropriate.
Reposted by Dima Lupyan
January 23, 2025 at 12:28 AM