Statistical analysis of ion mobility spectrometry. II. adaptively biased methods and shape correlations

Journal of the American Society for Mass Spectrometry

Volumn 23, Issue 7, 2012, Pages 1279-1288

  Calvo, Florent ^a,b   Chirot, Fabien ^a,c   Albrieux, Florian ^a,b,c   Lemoine, Jérǒme ^a,c   Tsybin, Yury O ^d   Pernot, Pascal ^b,e   Dugourd, Philippe ^a,b  

^a UNIVERSITÉ LYON 1   (France)

^b CNRS   (France)

^c Institut des Sciences Analytiques   (France)

^d EPFL   (Switzerland)

^e UNIVERSITÉ PARIS SACLAY   (France)

Author keywords

Ion mobility spectrometry; Molecular dynamics; Structure determination

Indexed keywords

COMPUTATIONAL COSTS; COMPUTATIONAL METHODOLOGY; CONFIGURATION SPACE; CONVEX HULL; CROSS SECTION; GEOMETRIC ORDER; GEOMETRICAL INFORMATIONS; HIGHER EFFICIENCY; ION MOBILITY SPECTROMETRY; ION-MOBILITY MEASUREMENTS; LOWEST ENERGY STRUCTURE; MOLECULAR CONFORMATION; RADIUS OF GYRATION; REACTION COORDINATES; REPLICA EXCHANGE SIMULATION; STRONG CORRELATION; STRUCTURE DETERMINATION; SURFACE AREA;

DIFFUSION; IONS; REACTION KINETICS; SPECTROMETRY;

MOLECULAR DYNAMICS;

ALPHA LACTALBUMIN; BRADYKININ;

ACCURACY; ADAPTIVELY BIASED MOLECULAR DYNAMICS; ARTICLE; CHEMICAL REACTION; CORRELATION ANALYSIS; DIFFUSION; HISTOGRAM; ION MOBILITY SPECTROMETRY; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; PROTON TRANSPORT; QUANTITATIVE ANALYSIS; STATISTICAL ANALYSIS; SURFACE PROPERTY;

BRADYKININ; COMPUTER SIMULATION; DATA INTERPRETATION, STATISTICAL; DIFFUSION; LACTALBUMIN; MASS SPECTROMETRY; MOLECULAR DYNAMICS SIMULATION; PEPTIDES; PROTONS; THERMODYNAMICS;

EID: 84865837923     PISSN: 10440305     EISSN: 18791123     Source Type: Journal    
DOI: 10.1007/s13361-012-0391-1     Document Type: Article

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