Beyond Standard Molecular Dynamics: Investigating the Molecular Mechanisms of G Protein-Coupled Receptors with Enhanced Molecular Dynamics Methods
作者： Jennifer M. Johnston , Marta Filizola
DOI: 10.1007/978-94-007-7423-0_6
关键词:
摘要: The majority of biological processes mediated by G Protein-Coupled Receptors (GPCRs) take place on timescales that are not conveniently accessible to standard molecular dynamics (MD) approaches, notwithstanding the current availability specialized parallel computer architectures, and efficient simulation algorithms. Enhanced MD-based methods have started assume an important role in study rugged energy landscape GPCRs providing mechanistic details complex receptor such as ligand recognition, activation, oligomerization. We provide here overview these their most recent application field.
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Gregory A Voth, None, Coarse-Graining of Condensed Phase and Biomolecular Systems CRC Press. ,(2008) , 10.1201/9781420059564
P. Michael Conn, Methods in neurosciences Methods in Neurosciences. ,vol. 10, ,(1991) , 10.1016/B978-0-12-185269-6.50005-9
C D Strader, I S Sigal, M R Candelore, E Rands, W S Hill, R A Dixon, Conserved aspartic acid residues 79 and 113 of the beta-adrenergic receptor have different roles in receptor function. Journal of Biological Chemistry. ,vol. 263, pp. 10267- 10271 ,(1988) , 10.1016/S0021-9258(19)81509-0
George R. Uhl, Carrie J. Blaschak, Jia Bei Wang, Christopher K. Surratt, Brian K. Seidleck, Peter S. Johnson, Akiyoshi Moriwaki, mu opiate receptor. Charged transmembrane domain amino acids are critical for agonist recognition and intrinsic activity. Journal of Biological Chemistry. ,vol. 269, pp. 20548- 20553 ,(1994) , 10.1016/S0021-9258(17)32028-8
András Fiser, Andrej Šali, Modeller: generation and refinement of homology-based protein structure models. Methods in Enzymology. ,vol. 374, pp. 461- 491 ,(2003) , 10.1016/S0076-6879(03)74020-8
Christine M. Tarby, Ryo Sogawa, Steven L. Teig, Takaharu Tsutsumi, Ken-Ichiro Kataoka, Masaki Sudoh, Minoru Imai, Yumiko Muroga, Osami Takenouchi, Noriaki Endo, Monoru Furuya, Takahiko Hada, Takuya Morita, Wilna Moree, Tatsuki Shiota, Cyclic amine derivatives and their use as drugs ,(1998)
C D Strader, M R Candelore, W S Hill, I S Sigal, R A Dixon, Identification of Two Serine Residues Involved in Agonist Activation of the β-Adrenergic Receptor Journal of Biological Chemistry. ,vol. 264, pp. 13572- 13578 ,(1989) , 10.1016/S0021-9258(18)80035-7
Juan A. Ballesteros, Harel Weinstein, [19] Integrated methods for the construction of three-dimensional models and computational probing of structure-function relations in G protein-coupled receptors Methods in Neurosciences. ,vol. 25, pp. 366- 428 ,(1995) , 10.1016/S1043-9471(05)80049-7
Tony Warne, Maria J. Serrano-Vega, Jillian G. Baker, Rouslan Moukhametzianov, Patricia C. Edwards, Richard Henderson, Andrew G. W. Leslie, Christopher G. Tate, Gebhard F. X. Schertler, Structure of a beta1-adrenergic G-protein-coupled receptor. Nature. ,vol. 454, pp. 486- 491 ,(2008) , 10.1038/NATURE07101
C Chavkin, S Bausch, B Kieffer, C Evans, K Befort, L Tabbara, The conserved aspartate residue in the third putative transmembrane domain of the delta-opioid receptor is not the anionic counterpart for cationic opiate binding but is a constituent of the receptor binding site. Molecular Pharmacology. ,vol. 49, pp. 216- 223 ,(1996)