Anastasiia Sadybekov

10 posts

Anastasiia Sadybekov

Anastasiia Sadybekov

@ASadybekov

Katılım Aralık 2021
26 Takip Edilen25 Takipçiler
Anastasiia Sadybekov retweetledi
Jordy Homing Lam
Jordy Homing Lam@LamJordy·
🥁Everyday @USC is vibrant, but today is more! 🎼Our work on vibrational modes for **millions** of atoms is now live! 👾 It would not be possible w/o @nvidia We hope it's both useful and educational~~ @Nature 📰 rdcu.be/dFEVB @github 💻 @GoogleColab 🖱️See🧵++!
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Seva Katritch
Seva Katritch@sevakat1·
Please join us for DDI Workshop at USC, MCB-101/102 on Feb 23rd, for talks from leaders in drug discovery from USC, UCSF, CMU, UCI + pharma, discussion panel, and networking at lunch, posters and reception. Details: tinyurl.com/DDIWork RSVP: tinyurl.com/DDIRSVP Pls RT
USC Dornsife College of Letters, Arts & Sciences@USCDornsife

We see the potential for AI and 3D modeling in drug discovery and development. USC Dornsife #CNT3D is hosting a 2nd drug discovery innovation workshop Feb 23. ➡️ bit.ly/3wfoUEJ

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Jordy Homing Lam
Jordy Homing Lam@LamJordy·
🚨Vibration for millions of atoms is here!🚨 Today, we are releasing a new work showing how vibrational modes can be solved in SOTA accuracy and speed on a single piece of @nvidia GPU! Vibrational modes for **millions** of atoms now possible w/o CG! 1/🧵
Seva Katritch@sevakat1

Can massive #GPU parallelization help scale up fast NMA flexibility analysis to mega-atom complexes without resorting to coarse-graining? New INCHING algorithm from our supertalented @LamJordy collab with Aiichiro Nakano solves this notorious problem! researchsquare.com/article/rs-331…

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Seva Katritch
Seva Katritch@sevakat1·
Our review on computational approaches in drug discovery is finally online: nature.com/articles/s4158… We tried to keep balance between physics- and data-driven sides. Huge thanks to @ASadybekov & 🇺🇦 friends @EnamineLtd and @Chem_space for enabling many breakthroughs in this field!
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Bruce Herring
Bruce Herring@beherring·
Latest from the lab now out in @NatureComms. Here we find that schizophrenia-associated mutations in SAP97 dramatically alter glutamatergic neurotransmission in the dentate gyrus. Big congrats to Yuni Kay and the rest of the team. nature.com/articles/s4146…
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Seva Katritch
Seva Katritch@sevakat1·
The key in the paper title is "MORE than 11 Billion". In a year, REAL Space has doubled to 21 Billion thanks to @EnamineLtd and @Chem_space, and Tera-scale screens are possible in the future with V-SYNTHES.
Seva Katritch@sevakat1

Fitting molecular puzzle piece by piece by V-SYNTHES. Our new fast Giga-scale virtual screening is out in Nature. Kudos to V-SYNTHES developers @ASadybekov and @SadybekovArman, and folks at @zenbrainest and Makriyannis labs, @Chem_space and @EnamineLtd nature.com/articles/s4158…

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@USC @nvidia @Nature @github @GoogleColab @EnamineLtd @Chem_space @NatureComms