[AMBER] Coordinates for PEG4K, Folic acid and chitin

From: Abdul Ajees <a_abdul_ajees.yahoo.com>
Date: Tue, 8 Nov 2016 11:02:37 +0000 (UTC)

Dear All,First of all, I apologize for the off-topic question.
I have a task to model the following:1. A small (drug) molecule has to be docked with a medium sized nano-rad Chitason (190-310 kDa). I tried various sources such as PDB, click2drug to get the coordinates. But I couldn't get any lead. I will be thankful to you, if anyone can suggest me the procedure to create the three dimensional coordinates for Chitason nano-rad with the size of around 300 kDa.  2. Then the drug+chitason complex has to be modelled with encapsulated PEG4K and/or Folic acid. I appreciate if anyone suggest some ideas, programs suitable to do this work. Thank youWith regardsAbdul Ajees *****************************************************Dr. A. ABDUL AJEES, M.Sc., M.Phil., Ph.D.Associate ProfessorDepartment of Atomic and Molecular PhysicsLG – 01, Academic Block – 5Manipal Institute of Technology CampusManipal University,Manipal - 576 104Karnataka, India.Phone: 91-0820-2925072/73 (office) / 91-8147966458http://drabdulajees.blogspot.in
AMBER mailing list
Received on Tue Nov 08 2016 - 03:30:02 PST
Custom Search