Chemistry Training Workshops

Training workshops are generally scheduled in the fall to appeal to new graduate students and undergraduate researchers.

Past workshops

CIC Workshop Series

  • Mass Spectrometry and Chromatography Basics (Norman Lee)
  • X-Ray Crystallography Basics (Jeff Bacon)
  • Crystal Growth Techniques and More (Jeff Bacon)
  • NMR Basics and Processing Softwares (Paul Ralifo)
  • Introduction to Mass Spectrometry (Norman Lee)

Computational Chemistry Series

  • Introduction to ChemDraw and Chem3D (Paul Sanschagrin)
  • Macromolecular Docking (Paul Sanschagrin)

Current Workshop Schedule

Unless noted, workshops are held 12:00-1:00 PM in SCI B83A (CIC Conference Room)

Fri Sep 21 2012 Computational Chemistry Series
ChemDraw and more (Paul Sanschagrin)
Fri Sep 28 2012 CIC Workshop Series
Chromatography and Mass Spectrometry Basics (Norman Lee)
Fri Oct 5 2012 CIC Workshop Series
X-Ray Crystallography Basics (Jeff Bacon)
Fri Oct 12 2012 CIC Workshop Series
Crystal Growth Techniques and More (Jeff Bacon)
Fri Oct 19 2012 Computational Chemistry Series
KNIME (Paul Sanschagrin)
Fri Oct 26 2012 CIC Workshop Series
Nuclear Magnetic Resonance Basics (Paul Ralifo)
Fri Nov 2 2012 CIC Workshop Series
Electron Paramagnetic Resonance Basics (Paul Ralifo)

Material from Past Presentations

Fri Oct 19 2012 Computational Chemistry Series
Introduction to KNIME (Paul Sanschagrin)
Presentation (PDF)
Demo Workflows and Data files (Note, you will have to configure the read and write nodes to point to the correct input and output files.)
Mon Nov 22 2010 Computational Chemistry Series
Macromolecular Docking (Paul Sanschagrin)
Presentation (PDF)

Future Topics May Include

  • Introduction to Linux, including basics of shell scripting and compiling
  • Using Katana and Twister (SCV Clusters), including use of queues and submission scripts
  • Molecular Dynamics
  • Quantum Mechanics
  • Introduction to Cheminformatics and ADMET calculations
  • Molecular Visualization Software
  • Introduction to Python and CambridgeSoft’s Chemscript
  • Introduction to R (statistical calculation package) and RPy
  • Plotting packages and image generation
  • Biological sequence searching, comparison, and databases
  • Homology Modeling and protein threading

These will be announced as they are scheduled.

Training Resources


If you have any suggestions or comments, please contact Paul S.