Gina El Nesr
@ginaelnesr.bsky.social
stanford phd • nsf grf • jhu bs • deep learning for protein design & dynamics • oly weightlifter 🏋🏽♀️• 🇪🇬
gelnesr.github.io
gelnesr.github.io
Reposted by Gina El Nesr
... each independent simulation is 500 ns long, almost certainly too short to sample the sorts of large-scale functionally relevant conformational changes that ML methods should be learning from, which means I must once again repost this excerpt from Janson et al
August 21, 2025 at 1:41 PM
... each independent simulation is 500 ns long, almost certainly too short to sample the sorts of large-scale functionally relevant conformational changes that ML methods should be learning from, which means I must once again repost this excerpt from Janson et al
is this how small molecules bind?? 😼
July 13, 2025 at 3:40 AM
is this how small molecules bind?? 😼
Seems it has happened in the past. Some examples are MLCB and MHLC, which were once conference workshops and after being rejected, they spun out into separate conferences.
July 7, 2025 at 5:47 PM
Seems it has happened in the past. Some examples are MLCB and MHLC, which were once conference workshops and after being rejected, they spun out into separate conferences.
ugh we thought so too 😪 currently looking into alternative solutions!
July 7, 2025 at 5:43 PM
ugh we thought so too 😪 currently looking into alternative solutions!
philosophy at its finest
June 28, 2025 at 2:35 AM
philosophy at its finest
Oh well in that case, I guess this sequence is purification ready, with an SA spacer nicely placed for a TEV-tag insertion
June 23, 2025 at 7:29 PM
Oh well in that case, I guess this sequence is purification ready, with an SA spacer nicely placed for a TEV-tag insertion