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

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

(2016) Mahdiar Khakinejad et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

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

(2016) Robert Pepin et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Challenges in the Interpretation of Protein H/D Exchange Data: A Molecular Dynamics Simulation Perspective

(2015) Robert G. McAllister et al.   BIOCHEMISTRY

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

(2015) Mahdiar Khakinejad et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

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

(2015) Mahdiar Khakinejad et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

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

(2015) Shu-Hua Chen et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

A New Ion Mobility–Linear Ion Trap Instrument for Complex Mixture Analysis

(2014) Gregory C. Donohoe et al.   ANALYTICAL CHEMISTRY

From Solution to the Gas Phase: Factors That Influence Kinetic Trapping of Substance P in the Gas Phase

(2014) Kyle L. Fort et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics Simulations of the Electrospray Process: Formation of NaCl Clusters via the Charged Residue Mechanism

(2014) Lars Konermann et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Evidence for Two New Solution States of Ubiquitin by IMS–MS Analysis

(2014) Huilin Shi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Insights into the Mechanism of Protein Electrospray Ionization From Salt Adduction Measurements

(2014) Xuanfeng Yue et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Ion Mobility Spectrometry-Hydrogen Deuterium Exchange Mass Spectrometry of Anions: Part 1. Peptides to Proteins

(2014) Gregory C. Donohoe et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Combining Ion Mobility Spectrometry with Hydrogen-Deuterium Exchange and Top-Down MS for Peptide Ion Structure Analysis

(2014) Mahdiar Khakinejad et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

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

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

From Solution to the Gas Phase: Stepwise Dehydration and Kinetic Trapping of Substance P Reveals the Origin of Peptide Conformations

(2013) Joshua A. Silveira et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unraveling the Mechanism of Electrospray Ionization

(2012) Lars Konermann et al.   ANALYTICAL CHEMISTRY

Protein hydrogen exchange: Testing current models

(2012) John J. Skinner et al.   PROTEIN SCIENCE

Structural Stability from Solution to the Gas Phase: Native Solution Structure of Ubiquitin Survives Analysis in a Solvent-Free Ion Mobility–Mass Spectrometry Environment

(2011) Thomas Wyttenbach et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Number of Solution States of Bradykinin from Ion Mobility and Mass Spectrometry Measurements

(2011) Nicholas A. Pierson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2011) Enguerran Vanquelef et al.   NUCLEIC ACIDS RESEARCH

Evidence for a Quasi-Equilibrium Distribution of States for Bradykinin [M + 3H]3+Ions in the Gas Phase

(2010) Nicholas A. Pierson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

(2010) François-Yves Dupradeau et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

On the Structure Elucidation Using Ion Mobility Spectrometry and Molecular Dynamics

(2009) F. A. Fernandez-Lima et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Combined Charged Residue-Field Emission Model of Macromolecular Electrospray Ionization

(2008) Christopher J. Hogan et al.   ANALYTICAL CHEMISTRY

Native mass spectrometry: a bridge between interactomics and structural biology

(2008) Albert J R Heck   NATURE METHODS

Stepwise evolution of protein native structure with electrospray into the gas phase, 10-12 to 102 s

(2008) K. Breuker et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA