Saab NewsSaab ForumSaab ClassifiedsSaab SpecificationsAbout UsSaab links

Saabing.com

Saab Discussion Boards
It is currently Sun Jun 17, 2018 10:52 pm

All times are UTC - 5 hours




Post new topic Reply to topic  [ 1 post ] 
Author Message
 Post subject: Differences in the results when using the most recent PSII c
PostPosted: Fri Feb 09, 2018 2:22 am 
Offline
Saab Junkie

Joined: Wed Jul 31, 2013 1:53 am
Posts: 205
The D2 sequence of the helix differs only at the thermophile valin was replaced for isoleucine in the mesophile. Both models of the mesophilic and thermophilic D helices of the D1 and D2 proteins were placed in the periodic boundary simulation boxes that were 1 nm larger than the peptides along all three axes. After hydrogen atoms Dabrafenib Raf inhibitor were added to the helices according to basic chemistry rules and the currently selected pH= 8.0, the boxes were filled with TIP3P water, and sodium atoms were iteratively placed at the coordinates with the lowest electrostatic potential until the cell was neutral. Molecular dynamics simulations were run using a multiple time step of 1.25 fs for intra-molecular for intermolecular forces. To remove bumps and DAPT|GSI-IX Gamma-secretase inhibitor to correct the covalent geometry, the structures were energy-minimized with the Yamber3 force field using a force cutoff and the Particle Mesh Ewald algorithm to treat long-range electrostatic interactions. After removal of conformational stress by a short steepest descent minimization, the procedure was continued by simulated annealing until convergence was reached, the energy improved by less than 0.012 kcal mol21 during 200 steps.


Top
 Profile E-mail  
 
Display posts from previous:  Sort by  
Post new topic Reply to topic  [ 1 post ] 

All times are UTC - 5 hours


Who is online

Users browsing this forum: No registered users and 3 guests


You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum

Search for:
Jump to:  
cron
Powered by phpBB © 2000, 2002, 2005, 2007 phpBB Group