Research from our collaboration with Dr. Joe Martin’s group here at Rutgers-Camden is now published in PLOS ONE: “Interactions of  L-3,5,3′-triiodothyronine, Allopregnanolone, and Ivermectin with the GABA(A) receptor: Evidence for Overlapping Intersubunit Binding Modes” by T. Westergard, R. Salari, J. V. Martin, and G. Brannigan.

In this paper, we use experimental and computational methods to investigate the likelihood that thyroid hormone T3 and the neurosteroid allopregnanolone bind to intersubunit binding site(s) in the transmembrane domain of the GABA(A) receptor.  We also use results from Molecular Dynamics Simulation to propose an explanation for why mutagenesis studies are so frequently inconclusive for GABA(A) pharmacology.

Sreelekha (Lekha) Revur, a Masters student in Computational and Integrative Biology, has joined the group.  Lekha is currently deciding among several cool projects!

Research from our collaboration with the Baenziger group has been published in Structure: “Role of the fourth transmembrane-helix in the allosteric modulation of pentameric ligand-gated ion channels” by C. Carswell,  C.M Hénault, S. Murlidaran, JPD Therien, P.F. Juranka, JA Surujballi, G. Brannigan, and J. E. Baenziger.

Chemplore is an easy to use, convenient front end for PubChem and the PDB.  Given a compound name or PDBID, Chemplore provides structures in a number of different representations, including a rotatable 3D viewer and 2D/3D sdf.  Several other features make getting useful information on small molecule(s) straightforward and quick.  Dr. Brannigan’s favorite feature is “Compare” : try comparing 4 inhaled anesthetics.

New article published in Journal of Membrane Biology, “Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory” by Z. Cournia…G. Brannigan…A-N. Bondar. (29 authors)

Dr. Brannigan has received a Cottrell College Science Award from the Research Corporation to study the Effects of Cholesterol and Lipid Sorting on Aggregation of Nicotinic Acetylcholine Receptors. (link updated!)

Shashank Chavali, a Masters student in Biology, has joined the group.  Shashank is carrying out atomistic simulations of transmembrane channels.

Liam Sharp, a Masters student in Computational and Integrative Biology, has joined the group.  Liam is carrying out coarse-grained simulations of protein aggregation in complex membranes.