Our next SBGrid-Schrödinger Users Group will be held on Tuesday, March 29th. Jas Bhachoo, Head of Education Initiatives for Applications Science from Schrödinger UK, will give a presentation on the The Importance of Protein Preparation for Modeling Applications.
The Importance of Protein Preparation for Modeling Applications
Head of Education Initiatives for Applications Science
Host: Jason Key
Experienced modelers know that accurate starting structures are a prerequisite for successful computational drug design. Unfortunately, even when working with a high-resolution x-ray crystallographic structure, researchers can spend considerable time and effort correcting common problems such as missing hydrogen atoms, incomplete side chains and loops, ambiguous protonation states, and flipped residues. We will address these issues in the upcoming webinar using an automated tool 'The Protein Preparation Wizard'.
In preparation for the meeting, please:
- Watch 4 short introductory videos in the Protein Preparation Playlist
- Complete this tutorial (if you are already familiar with Maestro, start on Page6/Section2). This pdf goes through protein preparation with the files 1fjs_prep_lig.mae.gz and 1fjs_prep_recep.mae.gz, which are used from the project table. Users can instead start from a PDB file and, using the Protein Preparation Wizard interface, can begin the same process (example PDB file here).
Webinar connection instructions: We are using the FUZE Meeting application to host our webinars, which is compatible with Mac and Windows computers or can be accessed through the web interface. To connect, follow the Meeting URL and enter the meeting number:
- Meeting URL: https://www.fuzemeeting.com/fuze/7aabc770/32274438
- Meeting Number: 32274438
- Call in number: +1 (201) 479-4595
- You can find international access numbers at https://www.fuzebox.com/extras/symphony-toll.
If you haven't connected to a Fuze webinar previously, your meeting experience will be best if you download the Fuze application before the meeting https://www.fuzebox.com/download. It's usually quick and painless.