On Behalf Of jie liu
Sent: Saturday, 3 December 2011 6:33 a.m.
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Software for optimizing drug molecules
Dear All
I have a protein crystal structure with a bonded drug molecule. Before I
proceed to serious and expensive computational approach, is there a
Dear All
I have a protein crystal structure with a bonded drug molecule. Before I
proceed to serious and expensive computational approach, is there a free and
simple software that I can use to do a little optimization of the drug in
order to enhance the bonding affinity, solubility and so on?
