TY - JOUR
T1 - 3D modeling for TM receptors
T2 - Algorithms and validations
AU - Nikiforovich, Gregory V.
AU - Galaktionov, Stan
AU - Tseitin, Vladimir M.
AU - Lowis, David R.
AU - Shenderovich, Mark D.
AU - Marshall, Garland R.
PY - 1998/1/1
Y1 - 1998/1/1
N2 - This paper outlines the basic strategy to build 3D models of transmembrane G-protein coupled receptors (GPCRs) starting from their amino acid sequences in a 'block-by-block' manner: (i) locate possible TM helical fragments in the GPCR sequence; (ii) build 3D structures for these helices; (iii) arrange isolated helices across the membrane; (iv) calculate all pairwise helix-helix interactions; (v) assemble helical bundle(s); (vi) restore interhelical loops and N- and C-termini; and (vii) refine the entire 3D structure(s). Computer algorithms and preliminary results for most of the steps are discussed.
AB - This paper outlines the basic strategy to build 3D models of transmembrane G-protein coupled receptors (GPCRs) starting from their amino acid sequences in a 'block-by-block' manner: (i) locate possible TM helical fragments in the GPCR sequence; (ii) build 3D structures for these helices; (iii) arrange isolated helices across the membrane; (iv) calculate all pairwise helix-helix interactions; (v) assemble helical bundle(s); (vi) restore interhelical loops and N- and C-termini; and (vii) refine the entire 3D structure(s). Computer algorithms and preliminary results for most of the steps are discussed.
KW - Energy calculations
KW - Molecular modeling
KW - Transmembrane receptors
UR - http://www.scopus.com/inward/record.url?scp=0344915550&partnerID=8YFLogxK
U2 - 10.1007/BF02443497
DO - 10.1007/BF02443497
M3 - Article
AN - SCOPUS:0344915550
VL - 5
SP - 413
EP - 415
JO - Letters in Peptide Science
JF - Letters in Peptide Science
SN - 0929-5666
IS - 5-6
ER -