标题
High performance collision cross section calculation-HPCCS
作者
关键词
-
出版物
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 39, Issue 21, Pages 1675-1681
出版商
Wiley
发表日期
2018-03-02
DOI
10.1002/jcc.25199
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Isomeric separation of cannabinoids by UPLC combined with ionic mobility mass spectrometry (TWIM-MS)—Part I
- (2017) Lilian V. Tose et al. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
- Review on Ion Mobility Spectrometry. Part 1: current instrumentation
- (2015) R. Cumeras et al. ANALYST
- Ion Mobility-Mass Spectrometry: Time-Dispersive Instrumentation
- (2015) Jody C. May et al. ANALYTICAL CHEMISTRY
- Are Benzoic Acids Always More Acidic Than Phenols? The Case ofortho-,meta-, andpara-Hydroxybenzoic Acids
- (2015) Renan S. Galaverna et al. EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
- New ways to boost molecular dynamics simulations
- (2015) Elmar Krieger et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Separation of glycosidic catiomers by TWIM-MS using CO2as a drift gas
- (2015) Giovana A. Bataglion et al. JOURNAL OF MASS SPECTROMETRY
- Linking molecular models with ion mobility experiments. Illustration with a rigid nucleic acid structure
- (2015) Valentina D'Atri et al. JOURNAL OF MASS SPECTROMETRY
- Collision Cross Sections for Structural Proteomics
- (2015) Erik G. Marklund et al. STRUCTURE
- W1CEP theory for computational thermochemistry
- (2015) Gabriel Heerdt et al. Computational and Theoretical Chemistry
- The power of ion mobility-mass spectrometry for structural characterization and the study of conformational dynamics
- (2014) Francesco Lanucara et al. Nature Chemistry
- Factors Contributing to the Collision Cross Section of Polyatomic Ions in the Kilodalton to Gigadalton Range: Application to Ion Mobility Measurements
- (2013) Thomas Wyttenbach et al. ANALYTICAL CHEMISTRY
- A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections (IV). Application to polypeptides
- (2013) Christian Bleiholder et al. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
- Can ion mobility mass spectrometry and density functional theory help elucidate protonation sites in 'small' molecules?
- (2013) Cris Lapthorn et al. RAPID COMMUNICATIONS IN MASS SPECTROMETRY
- A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections (II). Model parameterization and definition of empirical shape factors for proteins
- (2012) Christian Bleiholder et al. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
- Theoretical study of thermochemical properties using composite methods adapted to ONIOM
- (2012) Gabriel Heerdt et al. JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY
- Structural Characterization of Drug-like Compounds by Ion Mobility Mass Spectrometry: Comparison of Theoretical and Experimentally Derived Nitrogen Collision Cross Sections
- (2011) Iain Campuzano et al. ANALYTICAL CHEMISTRY
- A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections (I). Method
- (2011) Christian Bleiholder et al. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
- Validação computacional de métodos compostos no estudo de propriedades moleculares
- (2011) Gabriel Heerdt et al. QUIMICA NOVA
- How useful is ion mobility mass spectrometry for structural biology? The relationship between protein crystal structures and their collision cross sections in the gas phase
- (2010) Ewa Jurneczko et al. ANALYST
- Ion Mobility Spectrometry and Its Applications in Detection of Chemical Warfare Agents
- (2010) Marko A. Mäkinen et al. ANALYTICAL CHEMISTRY
- Collision Cross Sections of Proteins and Their Complexes: A Calibration Framework and Database for Gas-Phase Structural Biology
- (2010) Matthew F. Bush et al. ANALYTICAL CHEMISTRY
- Reliability of ion mobility spectrometry for qualitative analysis of complex, multicomponent illicit drug samples
- (2010) Jennifer R. Verkouteren et al. FORENSIC SCIENCE INTERNATIONAL
- Improved analysis of explosives samples with electrospray ionization-high resolution ion mobility spectrometry (ESI-HRIMS)
- (2010) Christopher K. Hilton et al. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
- Residual counter ions can stabilise a large protein complex in the gas phase
- (2009) Joanna Freeke et al. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
- Ion mobility-mass spectrometry
- (2008) Abu B. Kanu et al. JOURNAL OF MASS SPECTROMETRY
- Optimum Waveforms for Differential Ion Mobility Spectrometry (FAIMS)
- (2008) A SHVARTSBURG et al. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
- Ion mobility–mass spectrometry analysis of large protein complexes
- (2008) Brandon T Ruotolo et al. Nature Protocols
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExplorePublish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn More