-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear Sze Yi,
I think Rupp-validation might be more helpful than a score cut-off in your case: Would you take a drug developed based on how the ligand fits the density you are observing? Best, Tim On 04/28/2015 11:41 AM, Lau Sze Yi (SIgN) wrote: > Hi, > > I fitted small molecule ligand into observed electron density using > the Find Ligands function and did a density fit analysis. What is > considered an acceptable score? > > Regards, Sze Yi > > Research Fellow Singapore Immunology Network (SigN) 8A Biomedical > Grove, #03-06 Immunos, Singapore 138648 DID: +65 6407 0640 Fax: > +65 6407 0640 > > - -- - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen phone: +49 (0)551 39 22149 GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1 iD8DBQFVP15SUxlJ7aRr7hoRAvEdAKDIEZGc1ab37jvaYrKs6yb1K6T6xgCg3uSU I1iO4CD57BmC3LQuZ3tcZHs= =pFlZ -----END PGP SIGNATURE-----
