Robin M. Betz

TL;DR: The AMBER lipid force field has been updated to create Lipid14, allowing tensionless simulation of a number of lipid types with the AMBER MD package, and is compatible with theAMBER protein, nucleic acid, carbohydrate, and small molecule force fields.

TL;DR: The crystal structure of LSD in complex with the human serotonin receptor 5-HT2B reveals conformational rearrangements to accommodate LSD, providing a structural explanation for the conformational selectivity of LSD's key diethylamide moiety.

TL;DR: In this paper, the GAFF Lennard-Jones parameters for the simulation of acyl chains are corrected to allow the accurate and stable simulation of pure lipid bilayers, which is intended for combination with the new AMBER Lipid11 modular force field as part of ongoing attempts to create a modular phospholipid AMBER force field allowing tensionless NPT simulations of complex lipid bilayer.

TL;DR: In this paper, the crystal structures of the D4 dopamine receptor in its inactive state bound to the antipsychotic drug nemonapride were determined, with resolutions up to 1.95 angstroms.

TL;DR: This work identified specific amino acid-ligand contacts at transmembrane helix 5 and extracellular loop 2 responsible for Gi/o and β-arrestin signaling and targeted those residues to develop biased ligands, providing a template for generating arrestin-biased ligands by modifying predicted ligand interactions.