A number of subtypes of the alpha-adrenoceptor have been identified; however, knowledge of the three-dimensional structures of such membrane proteins is limited, and no crystal structure of an alpha-adrenoceptor is available to date. We have developed and analysed homology models of the alpha(1A)-adrenoceptor subtype based on the bovine rhodopsin crystal structure (119h). Subsequent structural refinement was performed through molecular dynamics simulations using the Amber 7 suite of programs with a biphasic H2O/CHCl3/H2O cell utilised to mimic the receptor's natural membrane environment. (C) 2004 Elsevier Inc. All rights reserved.