Comprehensive Peptide Ion Structure Studies Using Ion Mobility Techniques: Part 1. An Advanced Protocol for Molecular Dynamics Simulations and Collision Cross-Section Calculation (Q38955798)

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scientific article published on 16 February 2017

Language	Label	Description	Also known as
English	Comprehensive Peptide Ion Structure Studies Using Ion Mobility Techniques: Part 1. An Advanced Protocol for Molecular Dynamics Simulations and Collision Cross-Section Calculation	scientific article published on 16 February 2017

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scholarly article

1 reference

Europe PubMed Central

16 June 2018

http://europepmc.org/abstract/PMC/5942881

Comprehensive Peptide Ion Structure Studies Using Ion Mobility Techniques: Part 1. An Advanced Protocol for Molecular Dynamics Simulations and Collision Cross-Section Calculation (English)

1 reference

Europe PubMed Central

16 June 2018

http://europepmc.org/abstract/PMC/5942881

Samaneh Ghassabi Kondalaji

1

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28211014%20AND%20SRC:MED&resulttype=core&format=json

13 June 2020

Stephen J Valentine

4

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13 June 2020

author name string

Mahdiar Khakinejad

2

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13 June 2020

Amirmahdi Tafreshian

3

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13 June 2020

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16 February 2017

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16 June 2018

http://europepmc.org/abstract/PMC/5942881

Journal of the American Society for Mass Spectrometry

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13 June 2020

28

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13 June 2020

5

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13 June 2020

947-959

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13 June 2020

https://scigraph.springernature.com/pub.10.1007/s13361-017-1599-x

0 references

Toward a Rational Design of Highly Folded Peptide Cation Conformations. 3D Gas-Phase Ion Structures and Ion Mobility Characterization

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5942881

17 June 2018

Ion Mobility Spectrometry-Hydrogen Deuterium Exchange Mass Spectrometry of Anions: Part 2. Assessing Charge Site Location and Isotope Scrambling

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5942881

17 June 2018

Ion Mobility Spectrometry-Hydrogen Deuterium Exchange Mass Spectrometry of Anions: Part 3. Estimating Surface Area Exposure by Deuterium Uptake

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5942881

17 June 2018

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

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17 June 2018

Challenges in the interpretation of protein h/d exchange data: a molecular dynamics simulation perspective

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17 June 2018

Ion mobility spectrometry-hydrogen deuterium exchange mass spectrometry of anions: part 1. Peptides to proteins

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17 June 2018

Combining ion mobility spectrometry with hydrogen-deuterium exchange and top-down MS for peptide ion structure analysis

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17 June 2018

A new ion mobility-linear ion trap instrument for complex mixture analysis

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17 June 2018

Evidence for two new solution states of ubiquitin by IMS-MS analysis

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17 June 2018

Protein hydrogen exchange: testing current models

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17 June 2018

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

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17 June 2018

R.E.D. Server: a web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments

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17 June 2018

The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building

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17 June 2018

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

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17 June 2018

Combined charged residue-field emission model of macromolecular electrospray ionization

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17 June 2018

Stepwise evolution of protein native structure with electrospray into the gas phase, 10(-12) to 10(2) s

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17 June 2018

Native mass spectrometry: a bridge between interactomics and structural biology

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17 June 2018

Evidence for macromolecular protein rings in the absence of bulk water.

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17 June 2018

Investigation of intact protein complexes by mass spectrometry.

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17 June 2018

MMTSB Tool Set: enhanced sampling and multiscale modeling methods for applications in structural biology.

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17 June 2018

Large anhydrous polyalanine ions: evidence for extended helices and onset of a more compact state.

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17 June 2018

Knowledge-based protein secondary structure assignment

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17 June 2018

Simulated annealing approach to the study of protein structures

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17 June 2018

Gas-Phase Hydrogen-Deuterium Exchange Labeling of Select Peptide Ion Conformer Types: a Per-Residue Kinetics Analysis

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21 August 2018

Molecular Dynamics simulations of the electrospray process: formation of NaCl clusters via the charged residue mechanism

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21 August 2018

Insights into the mechanism of protein electrospray ionization from salt adduction measurements

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21 August 2018

From solution to the gas phase: stepwise dehydration and kinetic trapping of substance P reveals the origin of peptide conformations

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21 August 2018

Structural stability from solution to the gas phase: native solution structure of ubiquitin survives analysis in a solvent-free ion mobility-mass spectrometry environment

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21 August 2018

On the structure elucidation using ion mobility spectrometry and molecular dynamics

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21 August 2018

Temperature-dependent H/D exchange of compact and elongated cytochrome c ions in the gas phase.

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21 August 2018

Unraveling the Mechanism of Electrospray Ionization

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21 August 2018

The nature of the hydrated excess proton in water

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21 January 2018

Anhydrous Protein Ions

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21 January 2018

Naked Protein Conformations: Cytochrome c in the Gas Phase

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21 January 2018

Protein Structurein Vacuo: Gas-Phase Conformations of BPTI and Cytochromec

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General atomic and molecular electronic structure system

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Molecular dynamics with coupling to an external bath

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Infrared signature of structures associated with the H+(H2O)n (n = 6 to 27) clusters

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12 December 2020

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Synchronization of trajectories in canonical molecular-dynamics simulations: observation, explanation, and exploitation

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Conformational sampling using high-temperature molecular dynamics

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How Closely Related Are Conformations of Protein Ions Sampled by IM-MS to Native Solution Structures?

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12 December 2020

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From solution to the gas phase: factors that influence kinetic trapping of substance P in the gas phase

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https://pubmed.ncbi.nlm.nih.gov/28211014

12 December 2020

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Proton transfer-induced conformational changes and melting in designed peptides in the gas phase

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10.1007/S13361-017-1599-X

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Europe PubMed Central

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13 June 2020

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24 November 2022

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Europe PubMed Central

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13 June 2020

1 reference

Europe PubMed Central

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13 June 2020

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