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
Tuesday, March 29th at 12pm EDT
Jas Bhachoo
Head of Education Initiatives for Applications Science
Schrödinger UK.
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 …
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Please join us on March 8th at 12:00pm EST to hear Raj Pannu, Assistant Professor at Leiden University in The Netherlands, speak on Automated macromolecular structure solution from SAD and MR-SAD experiments with Crank2.
Automated macromolecular structure solution from SAD and MR-SAD experiments with Crank2
Tuesday, March 8th at 12pm EST
Navraj Pannu, Ph.D.
Assistant Professor
Leiden University, The Netherlands
Host: Jason Key
Determining new macromolecular structures from X-ray data diffracting to low resolution or with a weak anomalous signal is a difficult task. Here, I'll discussa new multivariate algorithm that simultaneously and synergistically combines the structure determination steps of substructure phasing, density modification and model building with refinement in one process. Furthermore, the method has been extended to use information from partial molecular replacement solutions. …
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On April 26th we'll hear a webinar presentation from Daniel Rigden of Liverpool University on AMPLE: a pipeline for unconventional Molecular Replacement. This application is available through the CCP4 installation. Join us April 26th at 12:00pm EST to hear about
AMPLE: a pipeline for unconventional
Molecular Replacement
Tuesday, April 26th at 12pm EST
Daniel Rigden, Ph.D.
Reader in Post-Genome Bioinformatics
University of Liverpool, UK
Host: Jason Key
For practical guidance on using AMPLE, check out the CCP4 wiki.
Also refer to these papers:
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Please join us on February 9th at 12:00pm EST to hear James Foadi, Postdoctoral Research Associate at the Diamond Synchrotron in Oxfordshire, give a primer on Assembling data from multiple crystals with BLEND.
Assembling data from multiple crystals with BLEND
Tuesday, February 9th at 12pm EST
James Foadi, Ph.D.
Postdoctoral Research Associate
Diamond Synchrotron, Oxfordshire
Host: Jason Key
In recent times, in macromolecular crystallography, it has become increasingly common at synchrotrons to obtain complete merged datasets using partial data wedges from multiple crystals. There are several reasons for the emergence of this recent trend, all pointing to the fact that completeness and redundancy from many crystals are, in general, superior to those coming from single crystals. When dealing with multiple crystals, though, users face two …
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The SBGrid Consortium and Piotr Sliz will host a special course on January 13th on Analysis and Visualization of Large Datasets with Python, led by former group member Ian Stokes-Rees, who currently works for Continuum Analytics. You can find Ian's profile at: https://www.linkedin.com/in/ijstokes.
Register here: http://goo.gl/forms/lPHCuZilUY
This course has limited enrollment and a few spots are still available.
There is no fee to attend the course.
First come, first served.
Analysis and Visualization of Large Datasets with Python
January 13th, 2016, 9AM - 4PM
Ian Stokes-Rees
Computational Scientist
Continuum Analytics
Location: Seeley G. Mudd Building, Room 106
Host: Piotr Sliz
Course Details: For each topic we will cover at least the first half of sub-topics. The second half will only be covered if time permits.
Tools …
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