Computational Modelling in Mass Spectrometry and Ion Mobility: Methods for Ion Structure and Reactivity Determination
January 25 - 28, 2018
Hilton St. Petersburg Bayfront Hotel
St. Petersburg, Florida
Iain Campuzano, Amgen
Frank Sobott, University of Antwerp
Michael van Stipdonk, Duquesne University
Specific session titles are as follows:
1. Small Molecule and Protein Molecular Dynamics and Quantum Mechanics: The Basics.
2. Small Molecule and Peptide Molecular Dynamics and Quantum Mechanics.
3. Computational Methods for Determination of Ion Structure by Tandem Mass Spectrometry,
Ion Mobility and Ion Spectroscopy.
4. Computational Methods for Studies of Ion Chemistry.
5. Gas-phase Structure and Reactions of Nucleic Acids and Glycans.
6. Protein-Ligand and Protein/Protein Complexes: Soluble and Membrane Proteins.
7. Ion Mobility Separation Algorithms: Which One is Optimal?
8. Molecular Dynamics and Quantum Mechanics in Medicinal Chemistry: Real Therapeutic
Key Note Speakers are:
James Cheeseman (Gaussian, Inc.)
Mark Johnson (Yale University)
Perdita Barran (University of Manchester)
Lars Konermann (University of Western Ontario)
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