Michail Papadourakis
@mpapadourakis.bsky.social
Postdoctoral associate in Hellenic Mediterranean University and Biomedical Research Foundation Academy of Athens. Passionate for computational drug design
Reposted by Michail Papadourakis
fyi - you can make very nice figures using PyMol with these custom settings (or modify them to make your own)
December 1, 2024 at 9:06 PM
fyi - you can make very nice figures using PyMol with these custom settings (or modify them to make your own)
Reposted by Michail Papadourakis
What’s the goal of the analysis? Illustrating differences or doing something quantitatively?
Aside from differences in torsion space that are expected from mutants, TICA will reveal the worst parts of the sampling problem, and MD always has a sampling problem if you look at all variables.
Aside from differences in torsion space that are expected from mutants, TICA will reveal the worst parts of the sampling problem, and MD always has a sampling problem if you look at all variables.
November 23, 2024 at 9:49 AM
What’s the goal of the analysis? Illustrating differences or doing something quantitatively?
Aside from differences in torsion space that are expected from mutants, TICA will reveal the worst parts of the sampling problem, and MD always has a sampling problem if you look at all variables.
Aside from differences in torsion space that are expected from mutants, TICA will reveal the worst parts of the sampling problem, and MD always has a sampling problem if you look at all variables.
Reposted by Michail Papadourakis
November 19, 2024 at 1:27 PM
Reposted by Michail Papadourakis
go.bsky.app/Qc4frbt
Made a starter pack for computational chemists, let me know who I missed please
@jchodera.bsky.social
@olexandr.bsky.social
@jelfschem.bsky.social
Made a starter pack for computational chemists, let me know who I missed please
@jchodera.bsky.social
@olexandr.bsky.social
@jelfschem.bsky.social
November 12, 2024 at 2:17 PM
go.bsky.app/Qc4frbt
Made a starter pack for computational chemists, let me know who I missed please
@jchodera.bsky.social
@olexandr.bsky.social
@jelfschem.bsky.social
Made a starter pack for computational chemists, let me know who I missed please
@jchodera.bsky.social
@olexandr.bsky.social
@jelfschem.bsky.social
Reposted by Michail Papadourakis
Hey new #Chemsky arrivals, you might not know this but there is also a separate feed to post #Chemjobs in:
bsky.app/profile/did:...
bsky.app/profile/did:...
November 13, 2024 at 6:16 AM
Hey new #Chemsky arrivals, you might not know this but there is also a separate feed to post #Chemjobs in:
bsky.app/profile/did:...
bsky.app/profile/did:...