Romain M. Wolf

TL;DR: A general Amber force field for organic molecules is described, designed to be compatible with existing Amber force fields for proteins and nucleic acids, and has parameters for most organic and pharmaceutical molecules that are composed of H, C, N, O, S, P, and halogens.

TL;DR: It is shown that ovarian cancer G-protein-coupled receptor 1 (OGR1), previously described as a receptor for sphingosylphosphorylcholine, acts as a proton-sensing receptor stimulating inositol phosphate formation, and that GPR4, a close relative of OGR1, also responds to pH changes, but elicits cyclic AMP formation.

TL;DR: An automated implementation of a combined Molecular Mechanics/Generalized Born Surface Area (MM/GBSA) method on a large and diverse selection of protein-ligand complexes is validated and it is shown that neglect of explicit solvent, ligand strain, and entropy contribute to the under- and overestimation of computed affinities.

TL;DR: The original article to which this Erratum refers was published in Journal of Computational Chemistry (2004) 25(9) 1157–1174.

TL;DR: The studies suggest that the bRho backbone can be used as a starting point for homology modeling of even distantly related G protein-coupled receptors and provide a rational framework for investigation of the contributions of the transmembrane domain to CaR function.