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List of works by Megan L O'Mara

A Unique Sequence Is Essential for Efficient Multidrug Efflux Function of the MtrD Protein of <i>Neisseria gonorrhoeae</i>

scientific article published on 31 August 2021

A model of the glycine receptor deduced from Brownian dynamics studies

scholarly article

A multifunctional surfactant catalyst inspired by hydrolases

scientific article published on 01 April 2020

A potential new, stable state of the E-cadherin strand-swapped dimer in solution

scientific article published on 15 June 2017

ABC transporters: a riddle wrapped in a mystery inside an enigma

scientific article published on 11 September 2009

ATP-binding cassette transporters in Escherichia coli

scientific article published on 18 June 2008

AdcA and AdcAII employ distinct zinc acquisition mechanisms and contribute additively to zinc homeostasis in Streptococcus pneumoniae

scientific article published on 16 January 2014

Capturing the Dynamics of a Spring-Loaded Protein.

scientific article published in July 2017

Characterizing the conformational dynamics of metal-free PsaA using molecular dynamics simulations and electron paramagnetic resonance spectroscopy

scientific article published on 3 September 2015

Comparing Nonbonded Metal Ion Models in the Divalent Cation Binding Protein PsaA

scientific article published on 26 February 2020

Computer simulations of ABC transporter components

scientific article published on December 2006

Conduction mechanisms of chloride ions in ClC-type channels

scientific article

Correction: Identification of a 3rd Na+ Binding Site of the Glycine Transporter, GlyT2.

scientific article published on 19 July 2016

Cytosolic region of TM6 in P-glycoprotein: topographical analysis and functional perturbation by site directed labeling

scientific article

Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae

scientific article

Effect of Poly(ethylene glycol) (PEG) Spacers on the Conformational Properties of Small Peptides: A Molecular Dynamics Study

scientific article published on 01 December 2010

Effect of the Force Field on Molecular Dynamics Simulations of the Multidrug Efflux Protein P-Glycoprotein

scientific article published on 10 September 2021

Homology model of the GABAA receptor examined using Brownian dynamics

scientific article

Hydrogen bond-Driven Self-Assembly between Amidinium Cations and Carboxylate Anions: A Combined Molecular Dynamics, NMR Spectroscopy, and Single Crystal X-ray Diffraction Study

scientific article published on 23 May 2017

Hydrophobic Shielding Drives Catalysis of Hydride Transfer in a Family of F420H2-Dependent Enzymes

scientific article published on 30 November 2016

Identification of Possible Binding Sites for Morphine and Nicardipine on the Multidrug Transporter P-Glycoprotein Using Umbrella Sampling Techniques

scientific article published on 18 May 2015

Identification of a 3rd Na+ Binding Site of the Glycine Transporter, GlyT2.

scientific article

Identification of an allosteric binding site on the human glycine transporter, GlyT2, for bioactive lipid analgesics

scientific article published on 17 October 2019

Imperfect coordination chemistry facilitates metal ion release in the Psa permease

scientific article

Is protein structure enough? A review of the role of lipids in SLC6 transporter function

scientific article published on 16 May 2018

Lipid-Based Inhibitors Act Directly on GlyT2

scientific article published on 17 December 2018

Location of contact residues in pharmacologically distinct drug binding sites on P-glycoprotein

scientific article

Mechanism and putative structure of B(0)-like neutral amino acid transporters.

scientific article published on January 2006

Mechanism of activation of protein kinase JAK2 by the growth hormone receptor

scientific article

Method for Developing Optical Sensors Using a Synthetic Dye-Fluorescent Protein FRET Pair and Computational Modeling and Assessment

scientific article published in January 2017

Molecular Determinants for Substrate Interactions with the Glycine Transporter GlyT2.

scientific article published on 9 November 2017

Molecular basis for the interaction of the mammalian amino acid transporters B0AT1 and B0AT3 with their ancillary protein collectrin

scientific article published on 3 August 2015

Multidrug Resistance in Neisseria gonorrhoeae: Identification of Functionally Important Residues in the MtrD Efflux Protein

scientific article published on 19 November 2019

Non-linear intramolecular interactions and voltage sensitivity of a KV1 family potassium channel from Polyorchis penicillatus (Eschscholtz 1829).

scientific article published on November 2008

Orientation of -Conotoxin PIIIA in a Sodium Channel Vestibule, Based on Voltage Dependence of Its Binding

article

P-glycoprotein models of the apo and ATP-bound states based on homology with Sav1866 and MalK

scientific article published on 07 August 2007

Pore structure controls stability and molecular flux in engineered protein cages

scientific article published on 04 February 2022

Probing the Pharmacological Binding Sites of P-Glycoprotein Using Umbrella Sampling Simulations

scientific article published on 02 January 2019

PsiRESP: calculating RESP charges with Psi4

scientific article published on 04 May 2022

Residue G346 in transmembrane segment six is involved in inter-domain communication in P-glycoprotein

scientific article published on 14 August 2007

Rv2074 is a novel F420 H2 -dependent biliverdin reductase in Mycobacterium tuberculosis

scientific article

Simple Design of an Enzyme-Inspired Supported Catalyst Based on a Catalytic Triad

Structural and dynamic perspectives on the promiscuous transport activity of P-glycoprotein

scientific article published on 11 May 2016

Structural characterization of two metastable ATP-bound states of P-glycoprotein

scientific article

Structure of a lipid A phosphoethanolamine transferase suggests how conformational changes govern substrate binding

scientific article

Structure-based interpretation of the mutagenesis database for the nucleotide binding domains of P-glycoprotein.

scientific article

Synthetically controlling dendrimer flexibility improves delivery of large plasmid DNA.

scientific article published on 27 January 2017

The Effect of Environment on the Structure of a Membrane Protein: P-Glycoprotein under Physiological Conditions

scientific article published on 11 June 2012

The central cavity of ABCB1 undergoes alternating access during ATP hydrolysis

scientific article published on April 2014

The effect of environment on the recognition and binding of vancomycin to native and resistant forms of lipid II.

scientific article published in December 2011

The effects of oxidised phospholipids and cholesterol on the biophysical properties of POPC bilayers

scientific article published on 25 July 2018

The mechanism of ABC transporters: general lessons from structural and functional studies of an antigenic peptide transporter.

scientific article published on 27 January 2009

The reliability of molecular dynamics simulations of the multidrug transporter P-glycoprotein in a membrane environment.

scientific article

The ryanodine receptor store-sensing gate controls Ca2+ waves and Ca2+-triggered arrhythmias

scientific article

The structural basis of bacterial manganese import

scientific article published in 2021

Transmembrane helix 12 modulates progression of the ATP catalytic cycle in ABCB1.

scientific article

Transmembrane helix 12 plays a pivotal role in coupling energy provision and drug binding in ABCB1.

scientific article published on 20 August 2010

Understanding the Link between Lipid Diversity and the Biophysical Properties of the Neuronal Plasma Membrane

scientific article published on 12 August 2020

Understanding the accumulation of P-glycoprotein substrates within cells: The effect of cholesterol on membrane partitioning.

scientific article published on 23 December 2015

Vancomycin: ligand recognition, dimerization and super-complex formation

scientific article

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