Computational Modelling in Mass Spectrometry and Ion Mobility: Methods for Ion Structure and Reactivity Determination
Город: St. Petersburg
Тезисы до: 18.11.2017
Даты: 25.01.18 — 28.01.18
Область наук: Химические;
Е-мейл Оргкомитета: https://www.asms.org/conferences/suggest-a-topic
Организаторы: American Society for Mass Spectrometry
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.
- 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.
Веб-сайт конференции: https://www.asms.org/conferences/sanibel-conference/sanibel-conference-homepage
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