ASMS Sanibel Conference: Computational Modelling in Mass Spectrometry and Ion Mobility: Methods for Ion Structure and Reactivity Determination
Event details
Date: | January 25, 2018 - January 28, 2018 |
Website: | |
Location: | Hilton St. Petersburg Bayfront Hotel, 333 1st St SE, St. Petersburg, FL 33701, United States, America |
About the Sanibel Conference 2018
Molecular dynamics (MD), quantum mechanical (QM) calculations, mass spectrometry (MS) and ion mobility (IM) are all indispensable tools and biophysical measurement techniques used throughout a vast range of research topics within biopharmaceutical and academic research.
The combination of MD and QM with MS and IM has impacted multiple research fields: from small molecule structure-activity-relationship design, drug-protein docking experiments, fundamental gas-phase ion chemistries and reactivities, to structural characterization of small drug-like isomers, organometallics, large native protein complexes and even modelling of the electrospray process.
This conference will highlight contributions made by both established and new up-and–coming researchers in the field of MD, QM, MS and IM.
Session Topics
- Small Molecule and Protein Molecular Dynamics and Quantum Mechanics: The Basics.
- Small Molecule and Peptide Molecular Dynamics and Quantum Mechanics
- Computational Methods for Determination of Ion Structure by Tandem Mass Spectrometry
- Ion Mobility and Ion Spectroscopy
- Computational Methods for Studies of Ion Chemistry
- Gas-phase Structure and Reactions of Nucleic Acids and Glycans
- Protein-Ligand and Protein/Protein Complexes: Soluble and Membrane Proteins
- Ion Mobility Separation Algorithms: Which One is Optimal?
- Molecular Dynamics and Quantum Mechanics in Medicinal Chemistry: Real Therapeutic Case Studies.
Keynote Speakers
- James Cheeseman, Gaussian, Inc.
- Mark Johnson, Yale University
- Perdita Barran, University of Manchester
- Lars Konermann, University of Western Ontario