INVITATION: Schrödinger Workshop in Oslo

Dear Life Science Researcher,

We are pleased to invite you to the Schrödinger medium level hands-on workshop that will take place at University of Oslo on Tuesday Sept 6th, 2011 at the Department of Chemistry (Kjemibygget) in PC room BL23 Ø186.  The workshop entitled “Computational Drug Discovery – Exploring Various Approaches for Novel Hit Identification“ is also posted on the Schrödinger Events page: http://www.schrodinger.com/events/252/1/

 The workshop will be conducted by Schrödinger Scientist Jas Bhachoo and it is organized in collaboration with the local coordinators Dr. Maria Francesca Iozzi at USIT, University of Oslo (UiO), Dr. Jon K Laerdahl, Bioinformatics Core Facility, UiO and Rikshospitalet, Oslo University Hospital (OUH) and Dr. Bjørn Dalhus, Rikshospitalet, OUH & Helse Sør-Øst Platform for Structural Biology.

The workshop activities will include hand-on exercise, conducted using the locally available Windows PCs. Participants may also bring their own laptops, if the Schrödinger suite is installed prior to the workshop. Please see below for instructions on how to obtain a license. 

You are welcome to register as described below. Please pass on to fellow researchers.

Schrödinger Workshop (medium level hands-on):

Computational Drug Discovery – Exploring Various Approaches for Novel Hit Identification

 Agenda
========
09:30     Welcome and introduction
09:45     Target structure prediction, refinement and characterization,Small molecule preparation with conformational searching. Virtual
screening: Docking
12:15     Lunch
13:15     Post-docking analysis with clustering, SIFTs and extra-precision algorithms
Virtual screening: Structure-based pharmacophore screening and shape-based screening
Data reduction and filtering using 2D approaches
15:45     Summary and discussion
16:00     Close

Preparation
=========
If you are not yet using Maestro on a regular basis, please request an evaluation license so that you can prepare yourself for this medium level workshop.

A)     To install the entire suite on your own machine/laptop and to get a free evaluation license from now and for the duration of the workshop please visit:

http://www.schrodinger.com/downloadcenter

 Further optional preparations involve watching some online training videos and seminars based on your interest: 

B)      Training videos are available here:

https://www.schrodinger.com/supportcenter/

C)      A collection of on-line seminars are available here:

https://www.schrodinger.com/seminarprior/19/

Registration
==========
Participation is free of charge, but we kindly ask you to register at your earliest convenience as seats are limited. You can register bysending me (annette.hoeglund@schrodinger.com ) an e-mail with your full contact details. 

We look forward to seeing you there! 
Best regards,
Jas Bhachoo and Annette Höglund
Schrödinger

# # # #
MORE INFO:

The Schroedinger Suite of software is state-of-the-art software in a molecular modeling platform for use in chemical, pharmaceutical, biotechnology, and materials science research. 

This software can be used for macromolecular modeling and simulations including protein structure modeling, computational docking and drug design, drug lead discovery or optimization, and quantum chemistry.

NOTUR (http://www.notur.no ) & UNINETT Sigma AS owns a license for the Schroedinger Software package which means that the software can be used by Norwegian academic users at all the SIGMA sites, including titan.uio.no at the University of Oslo, for free. Academic researchers in the Oslo region can apply for access to titan.uio.no and run the Schroedinger Software programs there. If you have an account on titan, you can already run Maestro (the graphic user interface to all Schroedinger Software) as described here: 

https://wiki.uio.no/usit/suf/vd/hpc/index.php/Schroedinger_Suite

 

 The following tools are available: Prime, Glide, Phase, Liaison, QSite, Impact, MacroModel, ConfGen, Minta, Jaguar, pKaPredictor, QikProp, LigPrep, Epik, Strike, SiteMap, XPVisualizer , CombiGlide, PrimeX, MCPro+, Canvas. 

You can read more about the various tools here:

http://www.schrodinger.com

 

 

 

 


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