List of works - Grace Brannigan

A Novel Bifunctional Alkylphenol Anesthetic Allows Characterization of γ-Aminobutyric Acid, Type A (GABAA), Receptor Subunit Binding Selectivity in Synaptosomes

scientific article published on 26 July 2016

A Unitary Anesthetic Binding Site at High Resolution

scientific article

A consistent model for thermal fluctuations and protein-induced deformations in lipid bilayers

scientific article

A lipid site shapes the agonist response of a pentameric ligand-gated ion channel

scientific article published on 07 October 2019

A predicted binding site for cholesterol on the GABAA receptor

scientific article (publication date: 6 May 2014)

A streamlined, general approach for computing ligand binding free energies and its application to GPCR-bound cholesterol

scientific article published on 13 November 2018

An atomistic model for simulations of the general anesthetic isoflurane

scientific article published in January 2010

Azi-medetomidine: Synthesis and Characterization of a Novel α2 Adrenergic Photoaffinity Ligand

scientific article published on 05 November 2019

Boundary lipids of the nicotinic acetylcholine receptor: Spontaneous partitioning via coarse-grained molecular dynamics simulation

scientific article published on 18 January 2019

Composition dependence of bilayer elasticity

scientific article published in February 2005

Computational investigation of cholesterol binding sites on mitochondrial VDAC.

scientific article

Contributions of Gaussian curvature and nonconstant lipid volume to protein deformation of lipid bilayers

scientific article published on 10 November 2006

Correction: Interactions of L-3,5,3'-Triiodothyronine, Allopregnanolone, and Ivermectin with the GABAA Receptor: Evidence for Overlapping Intersubunit Binding Modes

scientific article published on 3 November 2015

Direct Interactions of Cholesterol With Pentameric Ligand-Gated Ion Channels: Testable Hypotheses From Computational Predictions

scientific article published on 24 August 2017

Direct binding of phosphatidylglycerol at specific sites modulates desensitization of a ligand-gated ion channel

scientific article published on 14 November 2019

Embedded cholesterol in the nicotinic acetylcholine receptor

scientific article

Flexible lipid bilayers in implicit solvent

scientific article published on 26 July 2005

General anesthetics predicted to block the GLIC pore with micromolar affinity

scientific article

Identification of a fluorescent general anesthetic, 1-aminoanthracene

scholarly article

Implicit solvent simulation models for biomembranes

scientific article

Interactions of L-3,5,3'-Triiodothyronine [corrected], Allopregnanolone, and Ivermectin with the GABAA Receptor: Evidence for Overlapping Intersubunit Binding Modes

scientific article (publication date: 2015)

L-3,3',5-triiodothyronine and pregnenolone sulfate inhibit Torpedo nicotinic acetylcholine receptors

scientific article published on 04 October 2019

Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory.

scientific article

Multiple binding sites for the general anesthetic isoflurane identified in the nicotinic acetylcholine receptor transmembrane domain

scientific article

Pentameric Ligand-gated Ion Channels : Insights from Computation

scientific article published on April 2014

Physical Accuracy Leads to Biological Relevance: Best Practices For Simulating Ligand-Gated Ion Channels Interacting With General Anesthetics

scientific article published on 15 March 2018

Role of the Fourth Transmembrane α Helix in the Allosteric Modulation of Pentameric Ligand-Gated Ion Channels

scientific article published on 21 July 2015

Sequence specificity despite intrinsic disorder: How a disease-associated Val/Met polymorphism rearranges tertiary interactions in a long disordered protein

scientific article published on 18 October 2019

Shedding Light on Anesthetic Mechanisms: Application of Photoaffinity Ligands

scientific article published on 26 July 2016

Solvent-free simulations of fluid membrane bilayers

scientific article

The role of molecular shape in bilayer elasticity and phase behavior

scientific article published in August 2004

Untangling Direct and Domain-Mediated Interactions Between Nicotinic Acetylcholine Receptors in DHA-Rich Membranes

scientific article published on 18 July 2019

List of works by Grace Brannigan

A Novel Bifunctional Alkylphenol Anesthetic Allows Characterization of γ-Aminobutyric Acid, Type A (GABAA), Receptor Subunit Binding Selectivity in Synaptosomes

A Unitary Anesthetic Binding Site at High Resolution

A consistent model for thermal fluctuations and protein-induced deformations in lipid bilayers

A lipid site shapes the agonist response of a pentameric ligand-gated ion channel

A predicted binding site for cholesterol on the GABAA receptor

A streamlined, general approach for computing ligand binding free energies and its application to GPCR-bound cholesterol

An atomistic model for simulations of the general anesthetic isoflurane

Azi-medetomidine: Synthesis and Characterization of a Novel α2 Adrenergic Photoaffinity Ligand

Boundary lipids of the nicotinic acetylcholine receptor: Spontaneous partitioning via coarse-grained molecular dynamics simulation

Composition dependence of bilayer elasticity

Computational investigation of cholesterol binding sites on mitochondrial VDAC.

Contributions of Gaussian curvature and nonconstant lipid volume to protein deformation of lipid bilayers

Correction: Interactions of L-3,5,3'-Triiodothyronine, Allopregnanolone, and Ivermectin with the GABAA Receptor: Evidence for Overlapping Intersubunit Binding Modes

Direct Interactions of Cholesterol With Pentameric Ligand-Gated Ion Channels: Testable Hypotheses From Computational Predictions

Direct binding of phosphatidylglycerol at specific sites modulates desensitization of a ligand-gated ion channel

Embedded cholesterol in the nicotinic acetylcholine receptor

Flexible lipid bilayers in implicit solvent

General anesthetics predicted to block the GLIC pore with micromolar affinity

Identification of a fluorescent general anesthetic, 1-aminoanthracene

Implicit solvent simulation models for biomembranes

Interactions of L-3,5,3'-Triiodothyronine [corrected], Allopregnanolone, and Ivermectin with the GABAA Receptor: Evidence for Overlapping Intersubunit Binding Modes

L-3,3',5-triiodothyronine and pregnenolone sulfate inhibit Torpedo nicotinic acetylcholine receptors

Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory.

Multiple binding sites for the general anesthetic isoflurane identified in the nicotinic acetylcholine receptor transmembrane domain

Pentameric Ligand-gated Ion Channels : Insights from Computation

Physical Accuracy Leads to Biological Relevance: Best Practices For Simulating Ligand-Gated Ion Channels Interacting With General Anesthetics

Role of the Fourth Transmembrane α Helix in the Allosteric Modulation of Pentameric Ligand-Gated Ion Channels

Sequence specificity despite intrinsic disorder: How a disease-associated Val/Met polymorphism rearranges tertiary interactions in a long disordered protein

Shedding Light on Anesthetic Mechanisms: Application of Photoaffinity Ligands

Solvent-free simulations of fluid membrane bilayers

The role of molecular shape in bilayer elasticity and phase behavior

Untangling Direct and Domain-Mediated Interactions Between Nicotinic Acetylcholine Receptors in DHA-Rich Membranes