Schrödinger, Inc  will be presenting its 5th European Life Science Bootcamp – a series of live webinars that will cover a wide range of popular topics, and will be fully interactive – each webinar will consist of 10 minutes of presentation, 20 minutes of software demonstration, followed by live Q&A with the presenter.

Schrödinger's 5th European Life Science Bootcamp will run from Monday, March 20th through Thursday, March 24th, covering the following topics:

• WaterMap for Lead Optimisation
• Introduction and Case Studies in Free Energy Perturbation for Lead Optimisation
• Becoming an Expert in PyMOL: Customization and Scripting
• Modelling Peptide Binding: From Structure to Properties
• Using Phase for Pharmacophore Modelling

Click here to learn more, and to register for any of the sessions. Note that each session will be recorded and all registrants will automatically receive a link to the session recording.

The recordings from previous European Life Science Bootcamps can be found here:

• 1st Life Science Bootcamp
• 2nd Life Science Bootcamp
• 3rd Life Science Bootcamp
• 4th Life Science Bootcamp

If you should be a sudoer in ubuntu but somehow the system is broken and you can no longer make administrative changes, follow the procedure below to re-enter the sudoers list.

$ sudo ls
[sudo] password for stephane:
stephane is not in the sudoers file. This incident will be reported.

1. During boot, press and hold the left Shift key, and you should see the GRUB menu.
   
2. Select the entry containing (recovery mode) and wait.
   
3. You should now be presented with a menu. Select:
   remount Remount / read/write and mount all other file systems
   
   
   

If this option doesn't appear or won't work, you can instead choose the root option and use the following command to mount the system partition:
mount -o remount /
or
mount -o rw,remount /

After applying this variation, adding a user to the admin (11.10 and ealrier) or sudo (12.04 and later) group is done like:
adduser username admin # 11.10 and earlier
adduser username sudo # 12.04 and later
​

Using mount

1. Get the Information
Sometimes, devices don't automount, in which case you should try to manually mount them. First, you must know what device you are dealing with and what filesystem it is formatted with. Most flash drives are FAT16 or FAT32 and most external hard disks are NTFS. Type the following: 
sudo fdisk -lFind your device in the list. It is probably something like /dev/sdb1. For more information about filesystems, see LinuxFilesystemsExplained. 


2. Create the Mount Point
Now we need to create a mount point for the device. Let's say we want to call it "external". You can call it whatever you want, but if you use spaces in the name it gets a little more complicated. Instead, use an underscore to separate words (like "my_external"). Create the mount point: 
sudo mkdir /media/external

3. Mount the Drive
We can now mount the drive. Let's say the device is /dev/sdb1, the filesystem is FAT16 or FAT32 (like it is for most USB flash drives), and we want to mount it at /media/external (having already created the mount point): 
sudo mount -t vfat /dev/sdb1 /media/external -o uid=1000,gid=1000,utf8,dmask=027,fmask=137The options following the "-o" give you ownership of the drive, and the masks allow for extra security for file system permissions. If you don't use those extra options you may not be able to read and write the drive with your regular username. 
Otherwise, if the device is formatted with NTFS, run: 
sudo mount -t ntfs-3g /dev/sdb1 /media/external
Note: You must have the ntfs-3g driver installed. See MountingWindowsPartitions for more information.

4. Unmounting the Drive
When you are finished with the device, don't forget to unmount the drive before disconnecting it. Assuming /dev/sdb1 is mounted at /media/external, you can either unmount using the device or the mount point: 
sudo umount /dev/sdb1or: 
sudo umount /media/externalYou cannot unmount from the desktop by right-clicking the icon if the drive was manually mounted. 

This information is taken from https://help.ubuntu.com/community/Mount/USB

Collaborative Drug Discovery is a 
CDD’s May Town Hall Webinar explored how the selection of optimal chemical libraries can improve the drug discovery process.Guided by a distinguished panel of speakers, this Town Hall style webinar challenged our panelists, as well as the audience, to think hard about what should be included in an optimal small molecule library and to consider what would be “universally desirable” screening molecules.

If you missed the lively discussion between Michelle Arkin (UCSF) and Nick Skelton (Genentech), the recording is now available. These panelists shared their industrial and academic experiences as chemists and biologists by covering topics such as the:

• effectiveness of PAINS filters, Bioassay Ontology, and the importance of chemical diversity;
• impact of emerging technologies (encoded libraries, mixtures, SPR) on optimal library selection; and
• utilization of molecule subsets most desirable for protein-protein interactions, fragment-based screens, and HTS.

Even if you attended the webinar, visit the blog for some excellent new information... during the webinar, the audience asked many great questions that could not be answered due to time constraints. Check out the blog post for answers to these questions.

If you enjoyed this webinar, please stay tuned for our next webinar announcement (coming in Q3)!