Disco Docking - Computational Drug Design

[mtgau]

Genius!

[msilberg]

That song is sweet! What is it?

[CompChemist]

@msilberg. The song is "Sinnerman (Felix Da Housecat's Heavenly House Mix), Verve remixed. The original is Nina Simone- Sinnerman (The Thomas Crown Affair)"

[Yeclanoide]

is the protein flexible? which scoring function?

[CompChemist]

@Yeclanoide. The protein is rigid. We used the Glide SP scoring function.

[romfeastore]

can it work based on pdb models??

[CompChemist]

@romfeastore. Yes, both Maestro and PyMOL can work with PDB (.pdb) models.