Re: [ccp4bb] Characterising potential drug-binding pockets

2021-01-26 Thread Barone, Matthias
are Pharmakologie (FMP) Robert-Rössle-Strasse 10 13125 Berlin Germany Phone: +49 (0)30 94793-284 From: CCP4 bulletin board on behalf of Sergei Strelkov Sent: Monday, January 25, 2021 8:02:07 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Characterising potential drug-

Re: [ccp4bb] Characterising potential drug-binding pockets

2021-01-25 Thread Jon Cooper
Hello Sir, Just confirming PPI is Protein-Protein Interactions rather than Proton Pump Inhibitors? Anyway, I knew someone who used UCSF Chimera a lot for that sort of thing. Hope this helps. Jon.C. Sent from ProtonMail mobile Original Message On 25 Jan 2021, 19:02, Sergei St

Re: [ccp4bb] Characterising potential drug-binding pockets

2021-01-25 Thread Bernhard Rupp
ICM PocketFinder might fit the bill (not free but academic license) eg in https://pubmed.ncbi.nlm.nih.gov/20977231/ Best, BR From: CCP4 bulletin board On Behalf Of Sergei Strelkov Sent: Monday, January 25, 2021 11:02 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Characterising potential

[ccp4bb] Characterising potential drug-binding pockets

2021-01-25 Thread Sergei Strelkov
Dear everyone, In a drug discovery project where our aim is to interfere with some PPIs, we could obtain binding of drug-like fragments in several potentially interesting pockets on our target. We would like to make a projection on how promising these individual pockets are. One way of doing t