(From applicant?s abstract): This is a postdoctoral NRSA application to apply specialized computational approaches to study the structure of dopamine receptors. The three-dimensional structures of G-protein-coupled receptors are not yet known because none of them have been successfully crystallized. However, rhodopsin has been crystallized, although only at relatively low resolution. The candidate will utilize a series of potential energy screening algorithms developed in the sponsor?s laboratory to achieve structural information about dopamine receptors at the atomic level, using known structural information from rhodopsin as a guide. These analyses would begin with the transmembrane segments, then proceed to analyze the potential structure of ligand binding domains of dopamine receptor types.
| Grossfield, Alan (2005) Dependence of ion hydration on the sign of the ion's charge. J Chem Phys 122:024506 |
| Drozdov, Alexander N; Grossfield, Alan; Pappu, Rohit V (2004) Role of solvent in determining conformational preferences of alanine dipeptide in water. J Am Chem Soc 126:2574-81 |
| Grossfield, Alan; Ren, Pengyu; Ponder, Jay W (2003) Ion solvation thermodynamics from simulation with a polarizable force field. J Am Chem Soc 125:15671-82 |
