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Items: 1 to 20 of 65

1.

All-atom empirical potential for molecular modeling and dynamics studies of proteins.

MacKerell AD, Bashford D, Bellott M, Dunbrack RL, Evanseck JD, Field MJ, Fischer S, Gao J, Guo H, Ha S, Joseph-McCarthy D, Kuchnir L, Kuczera K, Lau FT, Mattos C, Michnick S, Ngo T, Nguyen DT, Prodhom B, Reiher WE, Roux B, Schlenkrich M, Smith JC, Stote R, Straub J, Watanabe M, Wiórkiewicz-Kuczera J, Yin D, Karplus M.

J Phys Chem B. 1998 Apr 30;102(18):3586-616. doi: 10.1021/jp973084f.

PMID:
24889800
2.
3.

Location, structure, and dynamics of the synthetic cannabinoid ligand CP-55,940 in lipid bilayers.

Kimura T, Cheng K, Rice KC, Gawrisch K.

Biophys J. 2009 Jun 17;96(12):4916-24. doi: 10.1016/j.bpj.2009.03.033.

4.

Observation of "ionic lock" formation in molecular dynamics simulations of wild-type beta 1 and beta 2 adrenergic receptors.

Vanni S, Neri M, Tavernelli I, Rothlisberger U.

Biochemistry. 2009 Jun 9;48(22):4789-97. doi: 10.1021/bi900299f.

PMID:
19378975
5.

Identification of two distinct inactive conformations of the beta2-adrenergic receptor reconciles structural and biochemical observations.

Dror RO, Arlow DH, Borhani DW, Jensen MØ, Piana S, Shaw DE.

Proc Natl Acad Sci U S A. 2009 Mar 24;106(12):4689-94. doi: 10.1073/pnas.0811065106. Epub 2009 Mar 3.

6.

A ligand channel through the G protein coupled receptor opsin.

Hildebrand PW, Scheerer P, Park JH, Choe HW, Piechnick R, Ernst OP, Hofmann KP, Heck M.

PLoS One. 2009;4(2):e4382. doi: 10.1371/journal.pone.0004382. Epub 2009 Feb 5.

7.

Residues accessible in the binding-site crevice of transmembrane helix 6 of the CB2 cannabinoid receptor.

Nebane NM, Hurst DP, Carrasquer CA, Qiao Z, Reggio PH, Song ZH.

Biochemistry. 2008 Dec 30;47(52):13811-21. doi: 10.1021/bi8007802.

8.

Ligand-binding architecture of human CB2 cannabinoid receptor: evidence for receptor subtype-specific binding motif and modeling GPCR activation.

Pei Y, Mercier RW, Anday JK, Thakur GA, Zvonok AM, Hurst D, Reggio PH, Janero DR, Makriyannis A.

Chem Biol. 2008 Nov 24;15(11):1207-19. doi: 10.1016/j.chembiol.2008.10.011.

9.

Two protonation switches control rhodopsin activation in membranes.

Mahalingam M, Martínez-Mayorga K, Brown MF, Vogel R.

Proc Natl Acad Sci U S A. 2008 Nov 18;105(46):17795-800. doi: 10.1073/pnas.0804541105. Epub 2008 Nov 7.

10.

The 2.6 angstrom crystal structure of a human A2A adenosine receptor bound to an antagonist.

Jaakola VP, Griffith MT, Hanson MA, Cherezov V, Chien EY, Lane JR, Ijzerman AP, Stevens RC.

Science. 2008 Nov 21;322(5905):1211-7. doi: 10.1126/science.1164772. Epub 2008 Oct 2.

11.

Crystal structure of opsin in its G-protein-interacting conformation.

Scheerer P, Park JH, Hildebrand PW, Kim YJ, Krauss N, Choe HW, Hofmann KP, Ernst OP.

Nature. 2008 Sep 25;455(7212):497-502. doi: 10.1038/nature07330.

PMID:
18818650
12.

Structure of a beta1-adrenergic G-protein-coupled receptor.

Warne T, Serrano-Vega MJ, Baker JG, Moukhametzianov R, Edwards PC, Henderson R, Leslie AG, Tate CG, Schertler GF.

Nature. 2008 Jul 24;454(7203):486-91. doi: 10.1038/nature07101. Epub 2008 Jun 25.

13.

Internal hydration increases during activation of the G-protein-coupled receptor rhodopsin.

Grossfield A, Pitman MC, Feller SE, Soubias O, Gawrisch K.

J Mol Biol. 2008 Aug 29;381(2):478-86. doi: 10.1016/j.jmb.2008.05.036. Epub 2008 May 22.

14.

Crystal structure of the ligand-free G-protein-coupled receptor opsin.

Park JH, Scheerer P, Hofmann KP, Choe HW, Ernst OP.

Nature. 2008 Jul 10;454(7201):183-7. doi: 10.1038/nature07063. Epub 2008 Jun 18.

PMID:
18563085
15.

Targeting the endocannabinoid system: to enhance or reduce?

Di Marzo V.

Nat Rev Drug Discov. 2008 May;7(5):438-55. doi: 10.1038/nrd2553. Review.

PMID:
18446159
16.

Sequence of late molecular events in the activation of rhodopsin.

Knierim B, Hofmann KP, Ernst OP, Hubbell WL.

Proc Natl Acad Sci U S A. 2007 Dec 18;104(51):20290-5. Epub 2007 Dec 11.

17.

High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor.

Cherezov V, Rosenbaum DM, Hanson MA, Rasmussen SG, Thian FS, Kobilka TS, Choi HJ, Kuhn P, Weis WI, Kobilka BK, Stevens RC.

Science. 2007 Nov 23;318(5854):1258-65. Epub 2007 Oct 25.

18.

GPCR engineering yields high-resolution structural insights into beta2-adrenergic receptor function.

Rosenbaum DM, Cherezov V, Hanson MA, Rasmussen SG, Thian FS, Kobilka TS, Choi HJ, Yao XJ, Weis WI, Stevens RC, Kobilka BK.

Science. 2007 Nov 23;318(5854):1266-73. Epub 2007 Oct 25.

19.

Crystal structure of the human beta2 adrenergic G-protein-coupled receptor.

Rasmussen SG, Choi HJ, Rosenbaum DM, Kobilka TS, Thian FS, Edwards PC, Burghammer M, Ratnala VR, Sanishvili R, Fischetti RF, Schertler GF, Weis WI, Kobilka BK.

Nature. 2007 Nov 15;450(7168):383-7. Epub 2007 Oct 21.

PMID:
17952055
20.

Dynamic structure of retinylidene ligand of rhodopsin probed by molecular simulations.

Lau PW, Grossfield A, Feller SE, Pitman MC, Brown MF.

J Mol Biol. 2007 Sep 28;372(4):906-17. Epub 2007 Jun 26.

PMID:
17719606
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