ADL: how to avoid the flipping of ligand steric centers during docking

Lingeswaran R (ORLL - Bioinformatics) Lingeswaran at orchidpharma.com
Wed Jun 10 21:12:08 PDT 2009


Dear sir/Madam,

My ligand having steric centers. The docked poses having equal distribution of ligands with starting structure plane and flipped conformation where it losses to maintain the starting structure plane.so how can I overcome the flipping of my ligand steric centers during docking?

 <?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" />

Thank you

lingesH

THIS E-MAIL IS CONFIDENTIAL and intended solely for the use of the individual to whom it is addressed. If you are not the addressee, any disclosure, reproduction, copying, distribution, or other dissemination or use of this communication is strictly prohibited.


More information about the autodock mailing list