Dima Lupyan
@newyorkdimka.bsky.social
Computational Chemist/Alchemist/Product Manager @ Schrödinger Inc.
I agree with the first part of the chant, but what do birds have to do with it?
April 5, 2025 at 5:13 PM
I agree with the first part of the chant, but what do birds have to do with it?
Is that reference to Theranos? I wonder why you think so?
April 5, 2025 at 5:06 PM
Is that reference to Theranos? I wonder why you think so?
Will this be recorded? Super interested, but too early for US.
March 26, 2025 at 1:27 PM
Will this be recorded? Super interested, but too early for US.
Prediction: They'll have a very public falling out by June.
March 8, 2025 at 7:59 PM
Prediction: They'll have a very public falling out by June.
few thoughts: 1) SS/RR would be the correct stereochemical notation to be used here; 2) his hands are not tiny enough; 3) both molecules are missing few sulfur atoms, as they do stink.
February 14, 2025 at 9:19 PM
few thoughts: 1) SS/RR would be the correct stereochemical notation to be used here; 2) his hands are not tiny enough; 3) both molecules are missing few sulfur atoms, as they do stink.
Interested in ligand unbinding and estimating k_off? Explore our research -- it’s sure to deliver insights you won’t want to let slip away!
@schrodingerinc.bsky.social
#chemsky #compchemsky
@schrodingerinc.bsky.social
#chemsky #compchemsky
February 14, 2025 at 8:15 PM
Interested in ligand unbinding and estimating k_off? Explore our research -- it’s sure to deliver insights you won’t want to let slip away!
@schrodingerinc.bsky.social
#chemsky #compchemsky
@schrodingerinc.bsky.social
#chemsky #compchemsky
🧩 A key benefit is its setup interface, which makes it perfectly suited for the fast-paced nature of drug design and discovery!
🔗 The methodology will improve our grip on drug kinetics and could revolutionize how we approach pharmacological development!
doi.org/10.26434/che...
🔗 The methodology will improve our grip on drug kinetics and could revolutionize how we approach pharmacological development!
doi.org/10.26434/che...
Towards automated physics-based absolute drug residence time predictions
The residence time (τ) of a drug bound to a receptor target is increasingly recognized as a key property to control during ligand-optimization campaigns and provides a useful dimension for modulating ...
doi.org
February 14, 2025 at 3:45 AM
🧩 A key benefit is its setup interface, which makes it perfectly suited for the fast-paced nature of drug design and discovery!
🔗 The methodology will improve our grip on drug kinetics and could revolutionize how we approach pharmacological development!
doi.org/10.26434/che...
🔗 The methodology will improve our grip on drug kinetics and could revolutionize how we approach pharmacological development!
doi.org/10.26434/che...