-
1
-
-
33847673071
-
G protein-coupled time travel: evolutionary aspects of GPCR research
-
PID: 17339603
-
Römpler H, Stäubert C, Thor D, Schulz A, Hofreiter M, Schöneberg T (2007) G protein-coupled time travel: evolutionary aspects of GPCR research. Mol Interv 7:17–25. doi:10.1124/mi.7.1.5
-
(2007)
Mol Interv
, vol.7
, pp. 17-25
-
-
Römpler, H.1
Stäubert, C.2
Thor, D.3
Schulz, A.4
Hofreiter, M.5
Schöneberg, T.6
-
2
-
-
77949370572
-
The impact of GPCR structures on pharmacology and structure-based drug design
-
COI: 1:CAS:528:DC%2BC3cXjs1ektro%3D, PID: 19912230
-
Congreve M, Marshall F (2010) The impact of GPCR structures on pharmacology and structure-based drug design. Br J Pharmacol 159:986–996. doi:10.1111/j.1476-5381.2009.00476.x
-
(2010)
Br J Pharmacol
, vol.159
, pp. 986-996
-
-
Congreve, M.1
Marshall, F.2
-
4
-
-
42149181885
-
Structural diversity of G protein-coupled receptors and significance for drug discovery
-
PID: 18382464
-
Lagerström MC, Schiöth HB (2008) Structural diversity of G protein-coupled receptors and significance for drug discovery. Nat Rev Drug Discov 7:339–357. doi:10.1038/nrd2592
-
(2008)
Nat Rev Drug Discov
, vol.7
, pp. 339-357
-
-
Lagerström, M.C.1
Schiöth, H.B.2
-
5
-
-
80051658642
-
Crystal structure of the β2 adrenergic receptor-Gs protein complex
-
COI: 1:CAS:528:DC%2BC3MXht1equrrL, PID: 21772288
-
Rasmussen SGF, DeVree BT, Zou Y, Kruse AC, Chung KY, Kobilka TS, Thian FS, Chae PS, Pardon E, Calinski D, Mathiesen JM, Shah ST, Lyons JA, Caffrey M, Gellman SH, Steyaert J, Skiniotis G, Weis WI, Sunahara RK, Kobilka BK (2011) Crystal structure of the β2 adrenergic receptor-Gs protein complex. Nature 477:549–555. doi:10.1038/nature10361
-
(2011)
Nature
, vol.477
, pp. 549-555
-
-
Rasmussen, S.G.F.1
DeVree, B.T.2
Zou, Y.3
Kruse, A.C.4
Chung, K.Y.5
Kobilka, T.S.6
Thian, F.S.7
Chae, P.S.8
Pardon, E.9
Calinski, D.10
Mathiesen, J.M.11
Shah, S.T.12
Lyons, J.A.13
Caffrey, M.14
Gellman, S.H.15
Steyaert, J.16
Skiniotis, G.17
Weis, W.I.18
Sunahara, R.K.19
Kobilka, B.K.20
more..
-
6
-
-
56749103466
-
The 2.6 angstrom crystal structure of a human A2A adenosine receptor bound to an antagonist
-
COI: 1:CAS:528:DC%2BD1cXhtlyqtbfN, PID: 18832607
-
Jaakola V-P, Griffith MT, Hanson MA, Cherezov V, Chien EY, Lane JR, Ijzerman AP, Stevens RC (2008) The 2.6 angstrom crystal structure of a human A2A adenosine receptor bound to an antagonist. Science 322:1211–1217. doi:10.1126/science.1164772
-
(2008)
Science
, vol.322
, pp. 1211-1217
-
-
Jaakola, V.-P.1
Griffith, M.T.2
Hanson, M.A.3
Cherezov, V.4
Chien, E.Y.5
Lane, J.R.6
Ijzerman, A.P.7
Stevens, R.C.8
-
7
-
-
84862777405
-
Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist
-
COI: 1:CAS:528:DC%2BC38Xht1ejsro%3D, PID: 22278061
-
Haga K, Kruse AC, Asada H, Yurugi-Kobayashi T, Shiroishi M, Zhang C, Weis WI, Okada T, Kobilka BK, Haga T, Kobayashi T (2012) Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist. Nature 482:547–551. doi:10.1038/nature10753
-
(2012)
Nature
, vol.482
, pp. 547-551
-
-
Haga, K.1
Kruse, A.C.2
Asada, H.3
Yurugi-Kobayashi, T.4
Shiroishi, M.5
Zhang, C.6
Weis, W.I.7
Okada, T.8
Kobilka, B.K.9
Haga, T.10
Kobayashi, T.11
-
8
-
-
47049130668
-
Crystal structure of the ligand-free G-protein-coupled receptor opsin
-
COI: 1:CAS:528:DC%2BD1cXot1ygtr4%3D, PID: 18563085
-
Park JH, Scheerer P, Hofmann KP, Choe HW, Ernst OP (2008) Crystal structure of the ligand-free G-protein-coupled receptor opsin. Nature 454:183–187. doi:10.1038/nature07063
-
(2008)
Nature
, vol.454
, pp. 183-187
-
-
Park, J.H.1
Scheerer, P.2
Hofmann, K.P.3
Choe, H.W.4
Ernst, O.P.5
-
9
-
-
52949102889
-
Crystal structure of opsin in its G-protein-interacting conformation
-
COI: 1:CAS:528:DC%2BD1cXhtFKhtbzF, PID: 18818650
-
Scheerer P, Park JH, Hildebrand PW, Kim YJ, Krauss N, Choe HW, Hofmann KP, Ernst OP (2008) Crystal structure of opsin in its G-protein-interacting conformation. Nature 455:497–502. doi:10.1038/nature07330
-
(2008)
Nature
, vol.455
, pp. 497-502
-
-
Scheerer, P.1
Park, J.H.2
Hildebrand, P.W.3
Kim, Y.J.4
Krauss, N.5
Choe, H.W.6
Hofmann, K.P.7
Ernst, O.P.8
-
10
-
-
0027974044
-
Dopamine receptors: molecular biology, biochemistry and behavioural aspects
-
COI: 1:STN:280:DyaK2M7otlGksA%3D%3D, PID: 7878079
-
Jackson DM, Westlind-Danielsson A (1994) Dopamine receptors: molecular biology, biochemistry and behavioural aspects. Pharmacol Ther 64:291–370. doi:10.1016/0163-7258(94)90041-8
-
(1994)
Pharmacol Ther
, vol.64
, pp. 291-370
-
-
Jackson, D.M.1
Westlind-Danielsson, A.2
-
11
-
-
6844250767
-
Dopamine receptors: from structure to function
-
COI: 1:CAS:528:DyaK1cXptlOjtg%3D%3D, PID: 9457173
-
Missale C, Nash SR, Robinson SW, Jaber M, Caron MG (1998) Dopamine receptors: from structure to function. Physiol Rev 78:189–225. doi:10.1186/1471-2296-12-32
-
(1998)
Physiol Rev
, vol.78
, pp. 189-225
-
-
Missale, C.1
Nash, S.R.2
Robinson, S.W.3
Jaber, M.4
Caron, M.G.5
-
12
-
-
0017068246
-
Antipsychotic drug doses and neuroleptic/dopamine receptors
-
COI: 1:CAS:528:DyaE28XlsFCisbk%3D, PID: 945467
-
Seeman P, Lee T, Chau-Wong M, Wong K (1976) Antipsychotic drug doses and neuroleptic/dopamine receptors. Nature 261:717–719. doi:10.1038/261717a0
-
(1976)
Nature
, vol.261
, pp. 717-719
-
-
Seeman, P.1
Lee, T.2
Chau-Wong, M.3
Wong, K.4
-
13
-
-
0029913279
-
Dopamine receptor binding predicts clinical and pharmacological potencies of antischizophrenic drugs
-
COI: 1:STN:280:DyaK2s7htVyktQ%3D%3D, PID: 9081563
-
Creese I, Burt DR, Snyder SH (1996) Dopamine receptor binding predicts clinical and pharmacological potencies of antischizophrenic drugs. J Neuropsychiatry Clin Neurosci 8:223–226. doi:10.1126/science.3854
-
(1996)
J Neuropsychiatry Clin Neurosci
, vol.8
, pp. 223-226
-
-
Creese, I.1
Burt, D.R.2
Snyder, S.H.3
-
14
-
-
79952032110
-
The physiology, signaling, and pharmacology of dopamine receptors
-
COI: 1:CAS:528:DC%2BC3MXjslGis70%3D, PID: 21303898
-
Beaulieu J-M, Gainetdinov RR (2011) The physiology, signaling, and pharmacology of dopamine receptors. Pharmacol Rev 63:182–217. doi:10.1124/pr.110.002642.182
-
(2011)
Pharmacol Rev
, vol.63
, pp. 182-217
-
-
Beaulieu, J.-M.1
Gainetdinov, R.R.2
-
15
-
-
0035720367
-
The neurobiology of dopamine signaling
-
COI: 1:CAS:528:DC%2BD38XitFSmtLo%3D, PID: 11892993
-
Greengard P (2001) The neurobiology of dopamine signaling. Biosci Rep 21:247–269
-
(2001)
Biosci Rep
, vol.21
, pp. 247-269
-
-
Greengard, P.1
-
16
-
-
0033956650
-
Atypical antipsychotics and dopamine D(1) receptor agonism: an in vivo experimental study using core temperature measurements in the rat
-
COI: 1:CAS:528:DC%2BD3cXotFelsQ%3D%3D, PID: 10640312
-
Oerther S, Ahlenius S (2000) Atypical antipsychotics and dopamine D(1) receptor agonism: an in vivo experimental study using core temperature measurements in the rat. J Pharmacol Exp Ther 292:731–736
-
(2000)
J Pharmacol Exp Ther
, vol.292
, pp. 731-736
-
-
Oerther, S.1
Ahlenius, S.2
-
17
-
-
9844254480
-
Biological profile of L-745,870, a selective antagonist with high affinity for the dopamine D4 receptor
-
COI: 1:CAS:528:DyaK2sXnsV2ms7w%3D, PID: 9353380
-
Patel S, Freedman S, Chapman KL, Emms F, Fletcher AE, Knowles M, Marwood R, Mcallister G, Myers J, Curtis N, Kulagowski JJ, Leeson PD, Ridgill M, Graham M, Matheson S, Rathbone D, Watt AP, Bristow LJ, Rupniak NM, Baskin E, Lynch JJ, Ragan CI (1997) Biological profile of L-745,870, a selective antagonist with high affinity for the dopamine D4 receptor. J Pharmacol Exp Ther 283:636–647
-
(1997)
J Pharmacol Exp Ther
, vol.283
, pp. 636-647
-
-
Patel, S.1
Freedman, S.2
Chapman, K.L.3
Emms, F.4
Fletcher, A.E.5
Knowles, M.6
Marwood, R.7
Mcallister, G.8
Myers, J.9
Curtis, N.10
Kulagowski, J.J.11
Leeson, P.D.12
Ridgill, M.13
Graham, M.14
Matheson, S.15
Rathbone, D.16
Watt, A.P.17
Bristow, L.J.18
Rupniak, N.M.19
Baskin, E.20
Lynch, J.J.21
Ragan, C.I.22
more..
-
18
-
-
0034806737
-
Inverse agonist actions of typical and atypical antipsychotic drugs at the human 5-hydroxytryptamine(2C) receptor
-
COI: 1:CAS:528:DC%2BD3MXntFWltrY%3D, PID: 11561066
-
Rauser L, Savage JE, Meltzer HY, Roth BL (2001) Inverse agonist actions of typical and atypical antipsychotic drugs at the human 5-hydroxytryptamine(2C) receptor. J Pharmacol Exp Ther 299:83–89
-
(2001)
J Pharmacol Exp Ther
, vol.299
, pp. 83-89
-
-
Rauser, L.1
Savage, J.E.2
Meltzer, H.Y.3
Roth, B.L.4
-
19
-
-
84891783174
-
Activities at the universal protein resource (UniProt)
-
The UniProt Consortium (2014) Activities at the universal protein resource (UniProt). Nucleic Acids Res 42:D191–D198
-
(2014)
Nucleic Acids Res
, vol.42
, pp. 191-198
-
-
The UniProt Consortium1
-
20
-
-
0030801002
-
Gapped BLAST and PSI-BLAST: a new generation of protein database search programs
-
COI: 1:CAS:528:DyaK2sXlvFyhu7w%3D, PID: 9254694
-
Altschul SF, Madden TL, Schäffer AA, Zhang J, Zhang Z, Miller W, Lipman DJ (1997) Gapped BLAST and PSI-BLAST: a new generation of protein database search programs. Nucleic Acids Res 25:3389–3402. doi:10.1093/nar/25.17.3389
-
(1997)
Nucleic Acids Res
, vol.25
, pp. 3389-3402
-
-
Altschul, S.F.1
Madden, T.L.2
Schäffer, A.A.3
Zhang, J.4
Zhang, Z.5
Miller, W.6
Lipman, D.J.7
-
21
-
-
0027136282
-
Comparative protein modelling by satisfaction of spatial restraints
-
COI: 1:CAS:528:DyaK2cXnt1ylug%3D%3D, PID: 8254673
-
Sali A, Blundell TL (1993) Comparative protein modelling by satisfaction of spatial restraints. J Mol Biol 234:779–815. doi:10.1006/jmbi.1993.1626
-
(1993)
J Mol Biol
, vol.234
, pp. 779-815
-
-
Sali, A.1
Blundell, T.L.2
-
22
-
-
0027968068
-
CLUSTAL W: improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice
-
COI: 1:CAS:528:DyaK2MXitlSgu74%3D, PID: 7984417
-
Thompson JD, Higgins DG, Gibson TJ (1994) CLUSTAL W: improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice. Nucleic Acids Res 22:4673–4680. doi:10.1093/nar/22.22.4673
-
(1994)
Nucleic Acids Res
, vol.22
, pp. 4673-4680
-
-
Thompson, J.D.1
Higgins, D.G.2
Gibson, T.J.3
-
23
-
-
1842532008
-
A hierarchical approach to all-atom protein loop prediction
-
COI: 1:CAS:528:DC%2BD2cXjtFKhsrc%3D, PID: 15048827
-
Jacobson MP, Pincus DL, Rapp CS, Day TJ, Honig B, Shaw DE, Friesner RA (2004) A hierarchical approach to all-atom protein loop prediction. Proteins Struct Funct Genet 55:351–367. doi:10.1002/prot.10613
-
(2004)
Proteins Struct Funct Genet
, vol.55
, pp. 351-367
-
-
Jacobson, M.P.1
Pincus, D.L.2
Rapp, C.S.3
Day, T.J.4
Honig, B.5
Shaw, D.E.6
Friesner, R.A.7
-
24
-
-
84878000040
-
Improvements to Robotics-Inspired Conformational Sampling in Rosetta
-
Stein A, Kortemme T (2013) Improvements to Robotics-Inspired Conformational Sampling in Rosetta. PLoS One. doi:10.1371/journal.pone.0063090
-
(2013)
PLoS One
-
-
Stein, A.1
Kortemme, T.2
-
25
-
-
3242887695
-
Protein structure prediction and analysis using the Robetta server
-
Kim DE, Chivian D, Baker D (2004) Protein structure prediction and analysis using the Robetta server. Nucleic Acids Res. doi:10.1093/nar/gkh468
-
(2004)
Nucleic Acids Res
-
-
Kim, D.E.1
Chivian, D.2
Baker, D.3
-
26
-
-
0030339738
-
AQUA and PROCHECK-NMR: programs for checking the quality of protein structures solved by NMR
-
COI: 1:CAS:528:DyaK2sXlvVSnsw%3D%3D, PID: 9008363
-
Laskowski RA, Rullmannn JA, MacArthur MW, Kaptein R, Thornton JM (1996) AQUA and PROCHECK-NMR: programs for checking the quality of protein structures solved by NMR. J Biomol NMR 8:477–486. doi:10.1007/BF00228148
-
(1996)
J Biomol NMR
, vol.8
, pp. 477-486
-
-
Laskowski, R.A.1
Rullmannn, J.A.2
MacArthur, M.W.3
Kaptein, R.4
Thornton, J.M.5
-
27
-
-
84880529288
-
Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
-
COI: 1:CAS:528:DC%2BC3sXmslalu7c%3D, PID: 23579614
-
Madhavi Sastry G, Adzhigirey M, Day T, Annabhimoju R, Sherman W (2013) Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments. J Comput Aided Mol Des 27:221–234. doi:10.1007/s10822-013-9644-8
-
(2013)
J Comput Aided Mol Des
, vol.27
, pp. 221-234
-
-
Madhavi Sastry, G.1
Adzhigirey, M.2
Day, T.3
Annabhimoju, R.4
Sherman, W.5
-
28
-
-
33645941402
-
The OPLS potential functions for proteins. Energy minimizations for crystals of c‘yclic peptides and crambin
-
COI: 1:CAS:528:DyaL1cXht1yjt7Y%3D
-
Jorgensen WL, Tirado-Rives J (1988) The OPLS potential functions for proteins. Energy minimizations for crystals of c‘yclic peptides and crambin. J Am Chem Soc 110:1657–1666. doi:10.1021/ja00214a001
-
(1988)
J Am Chem Soc
, vol.110
, pp. 1657-1666
-
-
Jorgensen, W.L.1
Tirado-Rives, J.2
-
29
-
-
28644432877
-
Very fast empirical prediction and rationalization of protein pK a values
-
COI: 1:CAS:528:DC%2BD2MXhtlaltLnN, PID: 16231289
-
Li H, Robertson AD, Jensen JH (2005) Very fast empirical prediction and rationalization of protein pK a values. Proteins Struct Funct Genet 61:704–721. doi:10.1002/prot.20660
-
(2005)
Proteins Struct Funct Genet
, vol.61
, pp. 704-721
-
-
Li, H.1
Robertson, A.D.2
Jensen, J.H.3
-
30
-
-
13844312649
-
ZINC—a free database of commercially available compounds for virtual screening
-
COI: 1:CAS:528:DC%2BD2cXhtVOjt77J, PID: 15667143
-
Irwin JJ, Shoichet BK (2005) ZINC—a free database of commercially available compounds for virtual screening. J Chem Inf Model 45:177–182. doi:10.1021/ci049714+
-
(2005)
J Chem Inf Model
, vol.45
, pp. 177-182
-
-
Irwin, J.J.1
Shoichet, B.K.2
-
31
-
-
77952750760
-
Drug-like bioactive structures and conformational coverage with the ligprep/confgen suite: comparison to programs MOE and catalyst
-
COI: 1:CAS:528:DC%2BC3cXlt1ersL8%3D, PID: 20423098
-
Chen IJ, Foloppe N (2010) Drug-like bioactive structures and conformational coverage with the ligprep/confgen suite: comparison to programs MOE and catalyst. J Chem Inf Model 50:822–839. doi:10.1021/ci100026x
-
(2010)
J Chem Inf Model
, vol.50
, pp. 822-839
-
-
Chen, I.J.1
Foloppe, N.2
-
32
-
-
84880565980
-
Improved docking of polypeptides with glide
-
COI: 1:CAS:528:DC%2BC3sXhtVSit7fJ, PID: 23800267
-
Tubert-Brohman I, Sherman W, Repasky M, Beuming T (2013) Improved docking of polypeptides with glide. J Chem Inf Model 53:1689–1699. doi:10.1021/ci400128m
-
(2013)
J Chem Inf Model
, vol.53
, pp. 1689-1699
-
-
Tubert-Brohman, I.1
Sherman, W.2
Repasky, M.3
Beuming, T.4
-
33
-
-
0035913529
-
Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides
-
COI: 1:CAS:528:DC%2BD3MXislKhsLk%3D
-
Kaminski GA, Friesner RA, Tirado-Rives J, Jorgensen WL (2001) Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides. J Phys Chem B 105:6474–6487. doi:10.1021/jp003919d
-
(2001)
J Phys Chem B
, vol.105
, pp. 6474-6487
-
-
Kaminski, G.A.1
Friesner, R.A.2
Tirado-Rives, J.3
Jorgensen, W.L.4
-
34
-
-
31544450787
-
Novel procedure for modeling ligand/receptor induced fit effects
-
COI: 1:CAS:528:DC%2BD2MXhtlCgsr7I, PID: 16420040
-
Sherman W, Day T, Jacobson MP, Friesner RA, Farid R (2006) Novel procedure for modeling ligand/receptor induced fit effects. J Med Chem 49:534–553. doi:10.1021/jm050540c
-
(2006)
J Med Chem
, vol.49
, pp. 534-553
-
-
Sherman, W.1
Day, T.2
Jacobson, M.P.3
Friesner, R.A.4
Farid, R.5
-
35
-
-
0031226772
-
Empirical scoring functions.1. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
-
Eldridge MD, Murray CW, Auton TR, Paolini GV, Mee RP (1997) Empirical scoring functions.1. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes. J Comput Aided Mol Des 11:425–445
-
(1997)
J Comput Aided Mol Des
, vol.11
, pp. 425-445
-
-
Eldridge, M.D.1
Murray, C.W.2
Auton, T.R.3
Paolini, G.V.4
Mee, R.P.5
-
36
-
-
1642310340
-
Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening
-
COI: 1:CAS:528:DC%2BD2cXhsFyit78%3D, PID: 15027866
-
Halgren TA, Murphy RB, Friesner RA, Beard HS, Frye LL, Pollard WT, Banks JL (2004) Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening. J Med Chem 47:1750–1759. doi:10.1021/jm030644s
-
(2004)
J Med Chem
, vol.47
, pp. 1750-1759
-
-
Halgren, T.A.1
Murphy, R.B.2
Friesner, R.A.3
Beard, H.S.4
Frye, L.L.5
Pollard, W.T.6
Banks, J.L.7
-
37
-
-
33750124980
-
Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes
-
COI: 1:CAS:528:DC%2BD28XpvVGmurg%3D, PID: 17034125
-
Friesner RA, Murphy RB, Repasky MP, Frye LL, Greenwood JR, Halgren TA, Sanschagrin PC, Mainz DT (2006) Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes. J Med Chem 49:6177–6196. doi:10.1021/jm051256o
-
(2006)
J Med Chem
, vol.49
, pp. 6177-6196
-
-
Friesner, R.A.1
Murphy, R.B.2
Repasky, M.P.3
Frye, L.L.4
Greenwood, J.R.5
Halgren, T.A.6
Sanschagrin, P.C.7
Mainz, D.T.8
-
38
-
-
44649172481
-
A specific cholesterol binding site is established by the 2.8 Å Structure of the human beta 2-adrenergic receptor
-
Hanson MA, Cherezov V, Griffith MT, Roth CB, Jaakola VP, Chien EY, Velasquez J, Kuhn P, Stevens RC (2008) A specific cholesterol binding site is established by the 2.8 Å Structure of the human beta 2-adrenergic receptor. Structure 16:897–905. doi:10.1016/j.str.2008.05.001
-
(2008)
Structure
, vol.16
, pp. 897-905
-
-
Hanson, M.A.1
Cherezov, V.2
Griffith, M.T.3
Roth, C.B.4
Jaakola, V.P.5
Chien, E.Y.6
Velasquez, J.7
Kuhn, P.8
Stevens, R.C.9
-
39
-
-
84857721176
-
Investigation of D 2 receptor-agonist interactions using a combination of pharmacophore and receptor homology modeling
-
COI: 1:CAS:528:DC%2BC38XhvVGlt7o%3D, PID: 22315215
-
Malo M, Brive L, Luthman K, Svensson P (2012) Investigation of D 2 receptor-agonist interactions using a combination of pharmacophore and receptor homology modeling. ChemMedChem 7:471–482. doi:10.1002/cmdc.201100545
-
(2012)
ChemMedChem
, vol.7
, pp. 471-482
-
-
Malo, M.1
Brive, L.2
Luthman, K.3
Svensson, P.4
-
40
-
-
77952003777
-
Homology modeling and docking evaluation of aminergic g protein-coupled receptors
-
COI: 1:CAS:528:DC%2BC3cXisFals78%3D, PID: 20187660
-
McRobb FM, Capuano B, Crosby IT, Chalmers DK, Yuriev E (2010) Homology modeling and docking evaluation of aminergic g protein-coupled receptors. J Chem Inf Model 50:626–637. doi:10.1021/ci900444q
-
(2010)
J Chem Inf Model
, vol.50
, pp. 626-637
-
-
McRobb, F.M.1
Capuano, B.2
Crosby, I.T.3
Chalmers, D.K.4
Yuriev, E.5
-
41
-
-
0036169280
-
The binding site of aminergic G protein-coupled receptors: the transmembrane segments and second extracellular loop
-
COI: 1:CAS:528:DC%2BD38XhvFKntrw%3D, PID: 11807179
-
Shi L, Javitch JA (2002) The binding site of aminergic G protein-coupled receptors: the transmembrane segments and second extracellular loop. Annu Rev Pharmacol Toxicol 42:437–467. doi:10.1146/annurev.pharmtox.42.091101.144224
-
(2002)
Annu Rev Pharmacol Toxicol
, vol.42
, pp. 437-467
-
-
Shi, L.1
Javitch, J.A.2
-
42
-
-
0141593924
-
Protein secondary structure prediction based on an improved support vector machines approach
-
COI: 1:CAS:528:DC%2BD3sXnt1Kis7s%3D, PID: 12968073
-
Kim H, Park H (2003) Protein secondary structure prediction based on an improved support vector machines approach. Protein Eng 16:553–560. doi:10.1093/protein/gzg072
-
(2003)
Protein Eng
, vol.16
, pp. 553-560
-
-
Kim, H.1
Park, H.2
-
43
-
-
0032861629
-
Molecular modeling of the dopamine D2 and serotonin 5-HT1A receptor binding modes of the enantiomers of 5-OMe-BPAT
-
COI: 1:CAS:528:DyaK1MXlvVWgu7o%3D, PID: 10530928
-
Homan EJ, Wikstrom HV, Grol CJ (1999) Molecular modeling of the dopamine D2 and serotonin 5-HT1A receptor binding modes of the enantiomers of 5-OMe-BPAT. Bioorg Med Chem 7:1805–20
-
(1999)
Bioorg Med Chem
, vol.7
, pp. 1805-1820
-
-
Homan, E.J.1
Wikstrom, H.V.2
Grol, C.J.3
-
44
-
-
0028920298
-
Mapping the binding-site crevice of the dopamine D2 receptor by the substituted-cysteine accessibility method
-
COI: 1:CAS:528:DyaK2MXlt1aiurs%3D, PID: 7718244
-
Javitch JA, Fu D, Chen J, Karlin A (1995) Mapping the binding-site crevice of the dopamine D2 receptor by the substituted-cysteine accessibility method. Neuron 14:825–831. doi:10.1016/0896-6273(95)90226-0
-
(1995)
Neuron
, vol.14
, pp. 825-831
-
-
Javitch, J.A.1
Fu, D.2
Chen, J.3
Karlin, A.4
-
45
-
-
0027175853
-
Site-directed mutagenesis of the serotonin 5-hydroxytrypamine2 receptor: identification of amino acids necessary for ligand binding and receptor activation
-
COI: 1:CAS:528:DyaK3sXltlWktbo%3D, PID: 8316224
-
Wang CD, Gallaher TK, Shih JC (1993) Site-directed mutagenesis of the serotonin 5-hydroxytrypamine2 receptor: identification of amino acids necessary for ligand binding and receptor activation. Mol Pharmacol 43:931–940
-
(1993)
Mol Pharmacol
, vol.43
, pp. 931-940
-
-
Wang, C.D.1
Gallaher, T.K.2
Shih, J.C.3
-
46
-
-
0347717582
-
The second extracellular loop of the dopamine D2 receptor lines the binding-site crevice
-
COI: 1:CAS:528:DC%2BD2cXmsFGhtw%3D%3D, PID: 14704269
-
Shi L, Javitch JA (2004) The second extracellular loop of the dopamine D2 receptor lines the binding-site crevice. Proc Natl Acad Sci USA 101:440–445. doi:10.1073/pnas.2237265100
-
(2004)
Proc Natl Acad Sci USA
, vol.101
, pp. 440-445
-
-
Shi, L.1
Javitch, J.A.2
-
47
-
-
0035899988
-
The first transmembrane segment of the dopamine D2 receptor: accessibility in the binding-site crevice and position in the transmembrane bundle
-
COI: 1:CAS:528:DC%2BD3MXmvFCht7c%3D, PID: 11591153
-
Shi L, Simpson MM, Ballesteros JA, Javitch JA (2001) The first transmembrane segment of the dopamine D2 receptor: accessibility in the binding-site crevice and position in the transmembrane bundle. Biochemistry 40:12339–12348. doi:10.1021/bi011204a
-
(2001)
Biochemistry
, vol.40
, pp. 12339-12348
-
-
Shi, L.1
Simpson, M.M.2
Ballesteros, J.A.3
Javitch, J.A.4
-
48
-
-
0033594927
-
Electrostatic and aromatic microdomains within the binding-site crevice of the D2 receptor: contributions of the second membrane-spanning segment
-
COI: 1:CAS:528:DyaK1MXjsVWmtrk%3D, PID: 10387039
-
Javitch JA, Ballesteros JA, Chen J, Chiappa V, Simpson MM (1999) Electrostatic and aromatic microdomains within the binding-site crevice of the D2 receptor: contributions of the second membrane-spanning segment. Biochemistry 38:7961–7968. doi:10.1021/bi9905314
-
(1999)
Biochemistry
, vol.38
, pp. 7961-7968
-
-
Javitch, J.A.1
Ballesteros, J.A.2
Chen, J.3
Chiappa, V.4
Simpson, M.M.5
-
49
-
-
0029757635
-
Residues in the seventh membrane-spanning segment of the dopamine D2 receptor accessible in the binding-site crevice
-
COI: 1:CAS:528:DyaK28XkvVGrs7w%3D, PID: 8784181
-
Fu D, Ballesteros Ja, Weinstein H, Chen J, Javitch JA (1996) Residues in the seventh membrane-spanning segment of the dopamine D2 receptor accessible in the binding-site crevice. Biochemistry 35:11278–11285. doi:10.1021/bi960928x
-
(1996)
Biochemistry
, vol.35
, pp. 11278-11285
-
-
Fu, D.1
Ballesteros, J.2
Weinstein, H.3
Chen, J.4
Javitch, J.A.5
-
50
-
-
0029617613
-
Residues in the fifth membrane-spanning segment of the dopamine D2 receptor exposed in the binding-site crevice
-
COI: 1:CAS:528:DyaK2MXpsFyqsLc%3D, PID: 8845371
-
Javitch JA, Fu D, Chen J (1995) Residues in the fifth membrane-spanning segment of the dopamine D2 receptor exposed in the binding-site crevice. Biochemistry 34:16433–16439. doi:10.1021/bi00050a026
-
(1995)
Biochemistry
, vol.34
, pp. 16433-16439
-
-
Javitch, J.A.1
Fu, D.2
Chen, J.3
-
51
-
-
0032570306
-
A cluster of aromatic residues in the sixth membrane-spanning segment of the dopamine D2 receptor is accessible in the binding-site crevice
-
COI: 1:CAS:528:DyaK1cXlt1Slsw%3D%3D, PID: 9454590
-
Javitch JA, Ballesteros JA, Weinstein H, Chen J (1998) A cluster of aromatic residues in the sixth membrane-spanning segment of the dopamine D2 receptor is accessible in the binding-site crevice. Biochemistry 37:998–1006. doi:10.1021/bi972241y
-
(1998)
Biochemistry
, vol.37
, pp. 998-1006
-
-
Javitch, J.A.1
Ballesteros, J.A.2
Weinstein, H.3
Chen, J.4
-
52
-
-
0026940770
-
Site-directed mutagenesis of the human dopamine D2 receptor
-
COI: 1:CAS:528:DyaK38Xmt1KntLc%3D, PID: 1358663
-
Mansour A, Meng F, Meador-Woodruff JH, Taylor LP, Civelli O, Akil H (1992) Site-directed mutagenesis of the human dopamine D2 receptor. Eur J Pharmacol 227:205–214
-
(1992)
Eur J Pharmacol
, vol.227
, pp. 205-214
-
-
Mansour, A.1
Meng, F.2
Meador-Woodruff, J.H.3
Taylor, L.P.4
Civelli, O.5
Akil, H.6
-
53
-
-
0026729248
-
Contributions of conserved serine residues to the interactions of ligands with dopamine D2 receptors
-
COI: 1:CAS:528:DyaK38Xlt1CktLw%3D, PID: 1321233
-
Cox BA, Henningsen RA, Spanoyannis A, Neve RL, Neve KA (1992) Contributions of conserved serine residues to the interactions of ligands with dopamine D2 receptors. J Neurochem 59:627–635. doi:10.1111/j.1471-4159.1992.tb09416.x
-
(1992)
J Neurochem
, vol.59
, pp. 627-635
-
-
Cox, B.A.1
Henningsen, R.A.2
Spanoyannis, A.3
Neve, R.L.4
Neve, K.A.5
-
54
-
-
0028971630
-
Hydrophobic residues of the D2 dopamine receptor are important for binding and signal transduction
-
Cho W, Taylor LP, Mansour A, Akil H (1995) Hydrophobic residues of the D2 dopamine receptor are important for binding and signal transduction. J Neurochem 65:2105–2115
-
(1995)
J Neurochem
, vol.65
, pp. 2105-2115
-
-
Cho, W.1
Taylor, L.P.2
Mansour, A.3
Akil, H.4
-
55
-
-
0033961819
-
Effect of multiple serine/alanine mutations in the transmembrane spanning region V of the D2 dopamine receptor on ligand binding
-
COI: 1:CAS:528:DC%2BD3cXltlSr, PID: 10617140
-
Coley C, Woodward R, Johansson AM, Strange PG, Naylor LH (2000) Effect of multiple serine/alanine mutations in the transmembrane spanning region V of the D2 dopamine receptor on ligand binding. J Neurochem 74:358–366. doi:10.1046/j.1471-4159.2000.0740358.x
-
(2000)
J Neurochem
, vol.74
, pp. 358-366
-
-
Coley, C.1
Woodward, R.2
Johansson, A.M.3
Strange, P.G.4
Naylor, L.H.5
-
56
-
-
34250795724
-
The application of 3D-QSAR studies for novel cannabinoid ligands substituted at the C1’ position of the alkyl side chain on the structural requirements for binding to cannabinoid receptors CB1 and CB2
-
Durdagi S, Kapou A, Kourouli T, Andreou T, Nikas SP, Nahmias VR, Papahatjis DP, Papadopoulos MG, Mavromoustakos T (2007) The application of 3D-QSAR studies for novel cannabinoid ligands substituted at the C1’ position of the alkyl side chain on the structural requirements for binding to cannabinoid receptors CB1 and CB2. J Med Chem 50:2875–2885
-
(2007)
J Med Chem
, vol.50
, pp. 2875-2885
-
-
Durdagi, S.1
Kapou, A.2
Kourouli, T.3
Andreou, T.4
Nikas, S.P.5
Nahmias, V.R.6
Papahatjis, D.P.7
Papadopoulos, M.G.8
Mavromoustakos, T.9
-
57
-
-
65349139121
-
Antihypertensive drug valsartan in solution and at the AT(1) receptor: conformational analysis, dynamic NMR spectroscopy, in silico docking, and molecular dynamics simulations
-
Potamitis C, Zervou M, Katsiaras V, Zoumpoulakis P, Durdagi S, Papadopoulos MG, Hayes JM, Grdadolnik SG, Kyrikou I, Argyropoulos D, Vatougia G, Mavromoustakos T (2009) Antihypertensive drug valsartan in solution and at the AT(1) receptor: conformational analysis, dynamic NMR spectroscopy, in silico docking, and molecular dynamics simulations. J Chem Inf Model 49:726–739
-
(2009)
J Chem Inf Model
, vol.49
, pp. 726-739
-
-
Potamitis, C.1
Zervou, M.2
Katsiaras, V.3
Zoumpoulakis, P.4
Durdagi, S.5
Papadopoulos, M.G.6
Hayes, J.M.7
Grdadolnik, S.G.8
Kyrikou, I.9
Argyropoulos, D.10
Vatougia, G.11
Mavromoustakos, T.12
-
58
-
-
79957957725
-
Strategies in the rational drug design
-
Mavromoustakos T, Durdagi S, Koukoulitsa C, Simcic M, Papadopoulos MG, Hodoscek M, Grdadolnik SG (2011) Strategies in the rational drug design. Curr Med Chem 18:2517–2530
-
(2011)
Curr Med Chem
, vol.18
, pp. 2517-2530
-
-
Mavromoustakos, T.1
Durdagi, S.2
Koukoulitsa, C.3
Simcic, M.4
Papadopoulos, M.G.5
Hodoscek, M.6
Grdadolnik, S.G.7
-
59
-
-
77954667868
-
A computational study on cannabinoid receptors and potent bioactive cannabinoid ligands: homology modeling, docking, de novo drug design and molecular dynamics analysis
-
Durdagi S, Papadopoulos MG, Zoumpoulakis PG, Koukoulitsa C, Mavromoustakos T (2010) A computational study on cannabinoid receptors and potent bioactive cannabinoid ligands: homology modeling, docking, de novo drug design and molecular dynamics analysis. Mol Divers 14:257–276
-
(2010)
Mol Divers
, vol.14
, pp. 257-276
-
-
Durdagi, S.1
Papadopoulos, M.G.2
Zoumpoulakis, P.G.3
Koukoulitsa, C.4
Mavromoustakos, T.5
-
60
-
-
35848932987
-
Combined 3D QSAR and molecular docking studies to reveal novel cannabinoid ligands with optimum binding activity
-
Durdagi S, Papadopoulos MG, Papahatjis DP, Mavromoustakos T (2007) Combined 3D QSAR and molecular docking studies to reveal novel cannabinoid ligands with optimum binding activity. Bioorg Med Chem Lett 17:6754–6763
-
(2007)
Bioorg Med Chem Lett
, vol.17
, pp. 6754-6763
-
-
Durdagi, S.1
Papadopoulos, M.G.2
Papahatjis, D.P.3
Mavromoustakos, T.4
-
61
-
-
48449083483
-
Comparative molecular dynamics simulations of the potent synthetic classical cannabinoid ligand AMG3 in solution and at binding site of the CB1 and CB2 receptors
-
Durdagi S, Reis H, Papadopoulos MG, Mavromoustakos T (2008) Comparative molecular dynamics simulations of the potent synthetic classical cannabinoid ligand AMG3 in solution and at binding site of the CB1 and CB2 receptors. Bioorg Med Chem 16:7377–7387
-
(2008)
Bioorg Med Chem
, vol.16
, pp. 7377-7387
-
-
Durdagi, S.1
Reis, H.2
Papadopoulos, M.G.3
Mavromoustakos, T.4
|