(Q53099411)

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1 February 2020

title

Statistical analysis of ion mobility spectrometry. II. Adaptively biased methods and shape correlations (English)

1 reference

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1 February 2020

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4

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1 February 2020

Yury O. Tsybin

5

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1 February 2020

Philippe Dugourd

7

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1 February 2020

Pascal Pernot

6

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1 February 2020

author name string

Florent Calvo

1

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1 February 2020

Fabien Chirot

2

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1 February 2020

Florian Albrieux

3

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1 February 2020

publication date

10 May 2012

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Journal of the American Society for Mass Spectrometry

1 February 2020

published in

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1 February 2020

volume

23

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1 February 2020

issue

7

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1 February 2020

page(s)

1279-1288

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https://scigraph.springernature.com/pub.10.1007/s13361-012-0391-1

1 February 2020

exact match

0 references

cites work

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Folding of a salivary intrinsically disordered protein upon binding to tannins

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Amyloid-β protein oligomerization and the importance of tetramers and dodecamers in the aetiology of Alzheimer's disease

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Interrogating viral capsid assembly with ion mobility-mass spectrometry

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Revising the proton affinity scale of the naturally occurring alpha-amino acids

21 January 2018

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Structures of protonated arginine dimer and bradykinin investigated by density functional theory: further support for stable gas-phase salt bridges

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THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method

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Molecular dynamics and ion mobility spectrometry study of model β-hairpin peptide, trpzip1.

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Escaping free-energy minima

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Statistical analysis of ion mobility spectrometry. I. Unbiased and guided replica-exchange molecular dynamics.

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Adaptively biased molecular dynamics for free energy calculations

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Evidence for a quasi-equilibrium distribution of states for bradykinin [M + 3H]3+ ions in the gas phase

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Number of solution states of bradykinin from ion mobility and mass spectrometry measurements.

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Replica Monte Carlo simulation of spin glasses.

21 January 2018

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Efficient reconstruction of complex free energy landscapes by multiple walkers metadynamics.

21 January 2018

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The quickhull algorithm for convex hulls

21 January 2018

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A review of techniques for parameter sensitivity analysis of environmental models

21 January 2018

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On the dynamics of fragment isomerization in collision-induced dissociation of peptides

21 January 2018

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An ion mobility/ion trap/photodissociation instrument for characterization of ion structure

21 January 2018

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Optical and structural properties of copper-oxytocin dications in the gas phase.

21 January 2018

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Structural Preferences of Gas-Phase M2TMP Monomers upon Sequence Variations

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Isomer-selected photoreactions of gas-phase cluster ions

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Combining ion mobility mass spectrometry and infrared multiphoton dissociation spectroscopy to probe the structure of gas-phase vancomycin–Ac2LKDADA non-covalent complex

21 January 2018

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Is it biologically relevant to measure the structures of small peptides in the gas-phase?

21 January 2018

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How alkali metal ion binding alters the conformation preferences of gramicidin A: a molecular dynamics and ion mobility study

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12 December 2020

Self-healing umbrella sampling: a non-equilibrium approach for quantitative free energy calculations

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12 December 2020

Efficient, Multiple-Range Random Walk Algorithm to Calculate the Density of States

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12 December 2020

Free-energy landscapes from adaptively biased methods: application to quantum systems

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12 December 2020

Performances of Wang-Landau algorithms for continuous systems.

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12 December 2020

Gaseous Bradykinin and Its Singly, Doubly, and Triply Protonated Forms: A First-Principles Study

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12 December 2020

Isomer-resolved ion spectroscopy

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12 December 2020