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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ
Research Scientist in CADD; PhD Chemistry at UCL; BA, MSci Natural Sciences, Chemistry (Cantab).
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ Oct 16
Great technology overview!
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ Oct 6
Thanks, Greg, really appreciated! ๐Ÿ˜Š
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ Oct 6
Replying to @nathanbroon
Any chance to join in late? The registration seems to be no longer available.
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ retweeted
London Lab Oct 1
What a journey! Over 170-fold improvement and going in one of the lead series against SARS-CoV-2 Mpro. Great team effort, and great crowdsourced suggestions! This is definitely a - too bad it's not
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ Oct 1
Just learnt that a chiral separation of the design below resulted in an IC50 (fluorescence) of 0.14uM for the (S)-enantiomer, and no activity for the (R)-. This matches the observed binding in the xstal structure, and demonstrates a "textbook example" of chiral selectivity!
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ Sep 30
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ Sep 29
Replying to @pwk2013
Looks good! Thanks for letting me know. I'm not on postera site, as our submissions are done indirectly through the company internal process. Sadly, it means some delay and loss of detail and design arguments. But I'm glad that some of these are being picked up nonetheless!
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ Sep 28
Replying to @jchodera @pwk2013
I am pretty confident meant a "soccer" metaphor, but, I suppose, the American version works, too :)
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ retweeted
PostEra Sep 23
now has a structure on the ~400 nm compound designed by ! What's also cool is that this compound is just one step from widely available building blocks and in REAL Space...
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ Sep 23
Work on is being featured in corporate communications.
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ retweeted
Micros๐ŸŽƒft Sep 22
Find out how UCB is partnering with Microsoft , using AI to accelerate drug discovery as part of their digital business transformation.
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ Sep 18
A promising development from Pfizer. First 3CL Mpro inhibitor heading to clinic. Claimed to be a pan-coronavirus antiviral. But it is not orally available. Thus, we still have a lot to improve at . Very promising nonetheless!
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ Sep 18
Replying to @Darenfearon
Awesome! ๐Ÿ˜ Are you sure though that GLN189 is not flipped the other way round to form a hbond with the ring O?
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ retweeted
Daren Fearon Sep 17
Replying to @OleinikovasV
The X-ray structure will be live on Fragalysis very soon!
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ Sep 17
Replying to @OleinikovasV
Given the current new data of VLA-UCB-1dbca3b4-15 design, it is suggestive (but inconclusive) that a larger substituent in P1 pocket is needed for an effective 3CL-Mpro inhibition.
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ Sep 17
Replying to @OleinikovasV
Just a note that while the above hit has not confirmed (see the link for an in-depth discussion), due to it's well-resolved xray structure it was still instrumental in designing VLA-UCB-1dbca3b4-15.
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ Sep 16
VLA-UCB-1dbca3b4-15 has been now confirmed in the second independent RapidFire assay at 0.42 uM. And chirally pure enantiomer could be twice as potent! More designs to follow!
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ retweeted
European Commission ๐Ÿ‡ช๐Ÿ‡บ Sep 16
This is the moment for Europe. The moment for Europe to lead the way from fragility towards a new vitality. President delivers her first address.
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ Sep 16
Really impressed with and inspired by speech! Ambitious visions including plans for healthcare, climate crisis, data protection, human rights and balanced international relations! "To build the world we want to live in!"
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Vladas Oleinikovas, PhD ๐Ÿ‡ช๐Ÿ‡บ retweeted
Open Force Field Initiative Sep 15
๐Ÿ“ขNew job opening -- is seeking a postdoc to work on biopolymer force fields compatible with our small molecule force fields ๐Ÿงฌ! Read more details about the position here: Note: Position pending final funding approval.
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