schrodinger 2010

i've successful to get the academic access to log on to schrodinger...

then, i've just downloaded Maestro software and got academic license for it..

now, i'm trying to learn how to use it for docking coz some said that using glide(application in maestro) is easier than autodock....

oh, i forget to tell that last time i used autodock to carry out docking but there are some error that me & femlin & also esther not understand it.....*sigh*

i will try harder to learn & use glide...hope that femlin, esther & Dr.hasni at MBBS will teach me....

MD result for 5 nano seconds

i already got MD result for 5 nano seconds last friday after 3 weeks waiting for it..this structure have minimum energy than the first one...

so, i analyze the structure using SAVES server (structural analysis and verification server).....

and below are the result from the analysis:

ramachandran plot:

• residues in most favoured region : 65.7%
  
• residues in additional allowed region : 29.9%
  
• residues in generously allowed region : 2.4%
  
• residues in dissallowed region : 2.0%
  

errat: 62.474

verify_3D: 67.25%

the result for verify_3D is better than the initial model because the initial model is only 49%.

the result for errat is lower than last one(90.502)