-
1
-
-
77955920536
-
Antagonism of orexin type 1 receptors in the locus coeruleus attenuates signs of naloxone-precipitated morphine withdrawal in rats
-
Azizi, H., Mirnajafi-Zadeh, J., Rohampour, K., and Semnanian, S. (2010) Antagonism of orexin type 1 receptors in the locus coeruleus attenuates signs of naloxone-precipitated morphine withdrawal in rats Neurosci. Lett. 482, 255-259
-
(2010)
Neurosci. Lett.
, vol.482
, pp. 255-259
-
-
Azizi, H.1
Mirnajafi-Zadeh, J.2
Rohampour, K.3
Semnanian, S.4
-
2
-
-
79959962736
-
Hypocretin1/OrexinA-containing axons innervate locus coeruleus neurons that project to the Rat medial prefrontal cortex. Implication in the sleep-wakefulness cycle and cortical activation
-
Cid-Pellitero, E. D. and Garzón, M. (2011) Hypocretin1/OrexinA- containing axons innervate locus coeruleus neurons that project to the Rat medial prefrontal cortex. Implication in the sleep-wakefulness cycle and cortical activation Synapse 65, 843-857
-
(2011)
Synapse
, vol.65
, pp. 843-857
-
-
Cid-Pellitero, E.D.1
Garzón, M.2
-
3
-
-
75749152568
-
Orexins/hypocretins and orexin receptors in apoptosis: A mini-review
-
Laburthe, M., Voisin, T., and El Firar, A. (2010) Orexins/hypocretins and orexin receptors in apoptosis: A mini-review Acta Physiol. 198, 393-402
-
(2010)
Acta Physiol.
, vol.198
, pp. 393-402
-
-
Laburthe, M.1
Voisin, T.2
El Firar, A.3
-
4
-
-
23844437642
-
Orexin, sleep and appetite regulation: A review
-
Mazza, M., Della, M. G., Paciello, N., Mennuni, G., Bria, P., and Mazza, S. (2005) Orexin, sleep and appetite regulation: A review Clin. Ter. 156, 393-402
-
(2005)
Clin. Ter.
, vol.156
, pp. 393-402
-
-
Mazza, M.1
Della, M.G.2
Paciello, N.3
Mennuni, G.4
Bria, P.5
Mazza, S.6
-
5
-
-
59649114144
-
Neuroendocrine proopiomelanocortin neurons are excited by Hypocretin/Orexin
-
Acuna-Goycolea, C. and van den Pol, A. N. (2009) Neuroendocrine proopiomelanocortin neurons are excited by Hypocretin/Orexin J. Neurosci. 29, 1503-1513
-
(2009)
J. Neurosci.
, vol.29
, pp. 1503-1513
-
-
Acuna-Goycolea, C.1
Van Den Pol, A.N.2
-
6
-
-
77955920113
-
Neuroendocrine regulatory peptide-2 regulates feeding behavior via the orexin system in the hypothalamus
-
Toshinai, K., Yamaguchi, H., Kageyama, H., Matsuo, T., Koshinaka, K., Sasaki, K., Shioda, S., Minamino, N., and Nakazato, M. (2010) Neuroendocrine regulatory peptide-2 regulates feeding behavior via the orexin system in the hypothalamus Am. J. Physiol. 299, E394-E401
-
(2010)
Am. J. Physiol.
, vol.299
-
-
Toshinai, K.1
Yamaguchi, H.2
Kageyama, H.3
Matsuo, T.4
Koshinaka, K.5
Sasaki, K.6
Shioda, S.7
Minamino, N.8
Nakazato, M.9
-
7
-
-
84876932335
-
Orexin (Hypocretin) receptor agonists and antagonists for treatment of sleep disorders
-
Mieda, M. and Sakurai, T. (2013) Orexin (Hypocretin) receptor agonists and antagonists for treatment of sleep disorders CNS Drugs 27, 83-90
-
(2013)
CNS Drugs
, vol.27
, pp. 83-90
-
-
Mieda, M.1
Sakurai, T.2
-
8
-
-
84884180617
-
Differential roles of orexin receptors in the regulation of sleep/wakefulness
-
Mieda, M., Tsujino, N., and Sakurai, T. (2013) Differential roles of orexin receptors in the regulation of sleep/wakefulness Front. Endocrinol. 4, 57
-
(2013)
Front. Endocrinol.
, vol.4
, pp. 57
-
-
Mieda, M.1
Tsujino, N.2
Sakurai, T.3
-
9
-
-
32344446144
-
Orexin A in the VTA is critical for the induction of synaptic plasticity and behavioral sensitization to cocaine
-
Borgland, S. L., Taha, S. A., Sarti, F., Fields, H. L., and Bonci, A. (2006) Orexin A in the VTA is critical for the induction of synaptic plasticity and behavioral sensitization to cocaine Neuron 49, 589-601
-
(2006)
Neuron
, vol.49
, pp. 589-601
-
-
Borgland, S.L.1
Taha, S.A.2
Sarti, F.3
Fields, H.L.4
Bonci, A.5
-
10
-
-
77950369884
-
The role of orexin-A in food motivation, reward-based feeding behavior and food-induced neuronal activation in rats
-
Choi, D. L., Davis, J. F., Fitzgerald, M. E., and Benoit, S. C. (2010) The role of orexin-A in food motivation, reward-based feeding behavior and food-induced neuronal activation in rats Neuroscience 167, 11-20
-
(2010)
Neuroscience
, vol.167
, pp. 11-20
-
-
Choi, D.L.1
Davis, J.F.2
Fitzgerald, M.E.3
Benoit, S.C.4
-
11
-
-
16244373061
-
The role of previous exposure in the appetitive and consummatory effects of orexigenic neuropeptides
-
Benoit, S. C., Clegg, D. J., Woods, S. C., and Seeley, R. J. (2005) The role of previous exposure in the appetitive and consummatory effects of orexigenic neuropeptides Peptides 26, 751-757
-
(2005)
Peptides
, vol.26
, pp. 751-757
-
-
Benoit, S.C.1
Clegg, D.J.2
Woods, S.C.3
Seeley, R.J.4
-
12
-
-
0035055943
-
SB-334867, a selective orexin-1 receptor antagonist, enhances behavioural satiety and blocks the hyperphagic effect of orexin-A in rats
-
Rodgers, R. J., Halford, J. C. G., Nunes de Souza, R. L., Canto de Souza, A. L., Piper, D. C., Arch, J. R. S., Upton, N., Porter, R. A., Johns, A., and Blundell, J. E. (2001) SB-334867, a selective orexin-1 receptor antagonist, enhances behavioural satiety and blocks the hyperphagic effect of orexin-A in rats Eur. J. Neurosci. 13, 1444-1452
-
(2001)
Eur. J. Neurosci.
, vol.13
, pp. 1444-1452
-
-
Rodgers, R.J.1
Halford, J.C.G.2
Nunes De Souza, R.L.3
Canto De Souza, A.L.4
Piper, D.C.5
Arch, J.R.S.6
Upton, N.7
Porter, R.A.8
Johns, A.9
Blundell, J.E.10
-
13
-
-
38449083117
-
[Regulatory mechanism of sleep/wakefulness states by orexin]
-
Sakurai, T. (2007) [Regulatory mechanism of sleep/wakefulness states by orexin] Tanpakushitsu Kakusan Koso 52, 1840-1848
-
(2007)
Tanpakushitsu Kakusan Koso
, vol.52
, pp. 1840-1848
-
-
Sakurai, T.1
-
14
-
-
77957359098
-
Orexins in the paraventricular nucleus of the thalamus mediate anxiety-like responses in rats
-
Li, Y., Li, S., Wei, C., Wang, H., Sui, N., and Kirouac, G. (2010) Orexins in the paraventricular nucleus of the thalamus mediate anxiety-like responses in rats Psychopharmacology 212, 251-265
-
(2010)
Psychopharmacology
, vol.212
, pp. 251-265
-
-
Li, Y.1
Li, S.2
Wei, C.3
Wang, H.4
Sui, N.5
Kirouac, G.6
-
15
-
-
77953690170
-
Neurobiology of hyperactivity and reward: Agreeable restlessness in Anorexia Nervosa
-
Scheurink, A. J. W., Boersma, G. J., NergaÌŠrdh, R., and Södersten, P. (2010) Neurobiology of hyperactivity and reward: Agreeable restlessness in Anorexia Nervosa Physiol. Behav. 100, 490-495
-
(2010)
Physiol. Behav.
, vol.100
, pp. 490-495
-
-
Scheurink, A.J.W.1
Boersma, G.J.2
Nergaìšrdh, R.3
Södersten, P.4
-
16
-
-
18144389456
-
Orexin-A (hypocretin-1) is possibly involved in generation of anxiety-like behavior
-
Suzuki, M., Beuckmann, C. T., Shikata, K., Ogura, H., and Sawai, T. (2005) Orexin-A (hypocretin-1) is possibly involved in generation of anxiety-like behavior Brain Res. 1044, 116-121
-
(2005)
Brain Res.
, vol.1044
, pp. 116-121
-
-
Suzuki, M.1
Beuckmann, C.T.2
Shikata, K.3
Ogura, H.4
Sawai, T.5
-
17
-
-
77954731181
-
Discovery of the dual Orexin receptor antagonist [(7R)-4-(5-chloro-1,3- benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl) phenyl]methanone (MK-4305) for the treatment of insomnia
-
Cox, C. D., Breslin, M. J., Whitman, D. B., Schreier, J. D., McGaughey, G. B., Bogusky, M. J., Roecker, A. J., Mercer, S. P., Bednar, R. A., Lemaire, W., Bruno, J. G., Reiss, D. R., Harrell, C. M., Murphy, K. L., Garson, S. L., Doran, S. M., Prueksaritanont, T., Anderson, W. B., Tang, C., Roller, S., Cabalu, T. D., Cui, D., Hartman, G. D., Young, S. D., Koblan, K. S., Winrow, C. J., Renger, J. J., and Coleman, P. J. (2010) Discovery of the dual Orexin receptor antagonist [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4- diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone (MK-4305) for the treatment of insomnia J. Med. Chem. 53, 5320-5332
-
(2010)
J. Med. Chem.
, vol.53
, pp. 5320-5332
-
-
Cox, C.D.1
Breslin, M.J.2
Whitman, D.B.3
Schreier, J.D.4
McGaughey, G.B.5
Bogusky, M.J.6
Roecker, A.J.7
Mercer, S.P.8
Bednar, R.A.9
Lemaire, W.10
Bruno, J.G.11
Reiss, D.R.12
Harrell, C.M.13
Murphy, K.L.14
Garson, S.L.15
Doran, S.M.16
Prueksaritanont, T.17
Anderson, W.B.18
Tang, C.19
Roller, S.20
Cabalu, T.D.21
Cui, D.22
Hartman, G.D.23
Young, S.D.24
Koblan, K.S.25
Winrow, C.J.26
Renger, J.J.27
Coleman, P.J.28
more..
-
18
-
-
84879312323
-
Role of Orexin in the pathophysiology of depression: Potential for pharmacological intervention
-
Nollet, M. and Leman, S. (2013) Role of Orexin in the pathophysiology of depression: Potential for pharmacological intervention CNS Drugs 27, 411-422
-
(2013)
CNS Drugs
, vol.27
, pp. 411-422
-
-
Nollet, M.1
Leman, S.2
-
19
-
-
79957807886
-
Activation of orexin neurons in dorsomedial/perifornical hypothalamus and antidepressant reversal in a rodent model of depression
-
Nollet, M., Gaillard, P., Minier, F., Tanti, A., Belzung, C., and Leman, S. (2011) Activation of orexin neurons in dorsomedial/perifornical hypothalamus and antidepressant reversal in a rodent model of depression Neuropharmacology 61, 336-346
-
(2011)
Neuropharmacology
, vol.61
, pp. 336-346
-
-
Nollet, M.1
Gaillard, P.2
Minier, F.3
Tanti, A.4
Belzung, C.5
Leman, S.6
-
20
-
-
84865206790
-
Neurogenesis-independent antidepressant-like effects on behavior and stress axis response of a dual Orexin receptor antagonist in a rodent model of depression
-
Nollet, M., Gaillard, P., Tanti, A., Girault, V., Belzung, C., and Leman, S. (2012) Neurogenesis-independent antidepressant-like effects on behavior and stress axis response of a dual Orexin receptor antagonist in a rodent model of depression Neuropsychopharmacology 37, 2210-2221
-
(2012)
Neuropsychopharmacology
, vol.37
, pp. 2210-2221
-
-
Nollet, M.1
Gaillard, P.2
Tanti, A.3
Girault, V.4
Belzung, C.5
Leman, S.6
-
21
-
-
84861471573
-
Chapter fifteen: Anti-parkinson drugs and Orexin neurons
-
In (Gerald, L. Ed.) pp, Academic Press, New York
-
Katsuki, H. and Michinaga, S. (2012) Chapter fifteen: Anti-parkinson drugs and Orexin neurons. In Vitamins & Hormones (Gerald, L., Ed.) pp 279-290, Academic Press, New York.
-
(2012)
Vitamins & Hormones
, pp. 279-290
-
-
Katsuki, H.1
Michinaga, S.2
-
22
-
-
84863883331
-
Overview of orexin/hypocretin system
-
Mieda, M. and Sakurai, T. (2012) Overview of orexin/hypocretin system Prog. Brain Res. 198, 5-14
-
(2012)
Prog. Brain Res.
, vol.198
, pp. 5-14
-
-
Mieda, M.1
Sakurai, T.2
-
23
-
-
77951844975
-
Teaching old receptors new tricks: Biasing seven-transmembrane receptors
-
Rajagopal, S., Rajagopal, K., and Lefkowitz, R. J. (2010) Teaching old receptors new tricks: Biasing seven-transmembrane receptors Nat. Rev. Drug Discovery 9, 373-386
-
(2010)
Nat. Rev. Drug Discovery
, vol.9
, pp. 373-386
-
-
Rajagopal, S.1
Rajagopal, K.2
Lefkowitz, R.J.3
-
24
-
-
79955765995
-
Temporal profiling of Orexin receptor-arrestin-ubiquitin complexes reveals differences between receptor subtypes
-
Dalrymple, M. B., Jaeger, W. C., Eidne, K. A., and Pfleger, K. D. G. (2011) Temporal profiling of Orexin receptor-arrestin-ubiquitin complexes reveals differences between receptor subtypes J. Biol. Chem. 286, 16726-16733
-
(2011)
J. Biol. Chem.
, vol.286
, pp. 16726-16733
-
-
Dalrymple, M.B.1
Jaeger, W.C.2
Eidne, K.A.3
Pfleger, K.D.G.4
-
25
-
-
84869825728
-
Analysis of multiple histamine H4 receptor compound classes uncovers Gαi protein-and β-Arrestin2-biased ligands
-
Nijmeijer, S., Vischer, H. F., Rosethorne, E. M., Charlton, S. J., and Leurs, R. (2012) Analysis of multiple histamine H4 receptor compound classes uncovers Gαi protein-and β-Arrestin2-biased ligands Mol. Pharmacol. 82, 1174-1182
-
(2012)
Mol. Pharmacol.
, vol.82
, pp. 1174-1182
-
-
Nijmeijer, S.1
Vischer, H.F.2
Rosethorne, E.M.3
Charlton, S.J.4
Leurs, R.5
-
26
-
-
79951994324
-
Orexin receptors: Pharmacology and therapeutic opportunities
-
Scammell, T. E. and Winrow, C. J. (2011) Orexin receptors: Pharmacology and therapeutic opportunities Annu. Rev. Pharmacol. Toxicol. 51, 243-266
-
(2011)
Annu. Rev. Pharmacol. Toxicol.
, vol.51
, pp. 243-266
-
-
Scammell, T.E.1
Winrow, C.J.2
-
27
-
-
79959658698
-
Hypothalamic orexin system: From orphan GPCR to therapeutic target
-
Yanagisawa, M. (2011) Hypothalamic orexin system: From orphan GPCR to therapeutic target Exp. Anim. 60, 199
-
(2011)
Exp. Anim.
, vol.60
, pp. 199
-
-
Yanagisawa, M.1
-
28
-
-
80054788101
-
Discovery of potent, selective, orally active benzoxazepine-based Orexin-2 receptor antagonists
-
Fujimoto, T., Kunitomo, J., Tomata, Y., Nishiyama, K., Nakashima, M., Hirozane, M., Yoshikubo, S.-i., Hirai, K., and Marui, S. (2011) Discovery of potent, selective, orally active benzoxazepine-based Orexin-2 receptor antagonists Bioorg. Med. Chem. Lett. 21, 6414-6416
-
(2011)
Bioorg. Med. Chem. Lett.
, vol.21
, pp. 6414-6416
-
-
Fujimoto, T.1
Kunitomo, J.2
Tomata, Y.3
Nishiyama, K.4
Nakashima, M.5
Hirozane, M.6
Hirai, K.7
Marui, S.8
-
29
-
-
79955569841
-
Diaryl urea analogues of SB-334867 as orexin-1 receptor antagonists
-
Perrey, D. A., Gilmour, B. P., Runyon, S. P., Thomas, B. F., and Zhang, Y. (2011) Diaryl urea analogues of SB-334867 as orexin-1 receptor antagonists Bioorg. Med. Chem. Lett. 21, 2980-2985
-
(2011)
Bioorg. Med. Chem. Lett.
, vol.21
, pp. 2980-2985
-
-
Perrey, D.A.1
Gilmour, B.P.2
Runyon, S.P.3
Thomas, B.F.4
Zhang, Y.5
-
30
-
-
84881368759
-
Selective orexin receptor antagonists
-
Lebold, T. P., Bonaventure, P., and Shireman, B. T. (2013) Selective orexin receptor antagonists Bioorg. Med. Chem. Lett. 23, 4761-4769
-
(2013)
Bioorg. Med. Chem. Lett.
, vol.23
, pp. 4761-4769
-
-
Lebold, T.P.1
Bonaventure, P.2
Shireman, B.T.3
-
31
-
-
0034008410
-
The novel brain neuropeptide, orexin-A, modulates the sleep-wake cycle of rats
-
Piper, D. C., Upton, N., Smith, M. I., and Hunter, A. J. (2000) The novel brain neuropeptide, orexin-A, modulates the sleep-wake cycle of rats Eur. J. Neurosci. 12, 726-730
-
(2000)
Eur. J. Neurosci.
, vol.12
, pp. 726-730
-
-
Piper, D.C.1
Upton, N.2
Smith, M.I.3
Hunter, A.J.4
-
32
-
-
0033572804
-
Solution structure of a new hypothalamic neuropeptide, human hypocretin-2/orexin-B
-
Lee, J.-H., Bang, E., Chae, K.-J., Kim, J.-Y., Lee, D. W., and Lee, W. (1999) Solution structure of a new hypothalamic neuropeptide, human hypocretin-2/orexin-B Eur. J. Biochem. 266, 831-839
-
(1999)
Eur. J. Biochem.
, vol.266
, pp. 831-839
-
-
Lee, J.-H.1
Bang, E.2
Chae, K.-J.3
Kim, J.-Y.4
Lee, D.W.5
Lee, W.6
-
33
-
-
20244380014
-
Orexins and Orexin Receptors: A family of hypothalamic neuropeptides and G Protein-Coupled Receptors that regulate feeding behavior
-
Sakurai, T., Amemiya, A., Ishii, M., Matsuzaki, I., Chemelli, R. M., Tanaka, H., Williams, S. C., Richardson, J. A., Kozlowski, G. P., Wilson, S., Arch, J. R. S., Buckingham, R. E., Haynes, A. C., Carr, S. A., Annan, R. S., McNulty, D. E., Liu, W.-S., Terrett, J. A., Elshourbagy, N. A., Bergsma, D. J., and Yanagisawa, M. (1998) Orexins and Orexin Receptors: A family of hypothalamic neuropeptides and G Protein-Coupled Receptors that regulate feeding behavior Cell 92, 573-585
-
(1998)
Cell
, vol.92
, pp. 573-585
-
-
Sakurai, T.1
Amemiya, A.2
Ishii, M.3
Matsuzaki, I.4
Chemelli, R.M.5
Tanaka, H.6
Williams, S.C.7
Richardson, J.A.8
Kozlowski, G.P.9
Wilson, S.10
Arch, J.R.S.11
Buckingham, R.E.12
Haynes, A.C.13
Carr, S.A.14
Annan, R.S.15
McNulty, D.E.16
Liu, W.-S.17
Terrett, J.A.18
Elshourbagy, N.A.19
Bergsma, D.J.20
Yanagisawa, M.21
more..
-
34
-
-
33745953546
-
Orexin-A is composed of a highly conserved C-terminal and a specific, hydrophilic N-terminal region, revealing the structural basis of specific recognition by the orexin-1 receptor
-
Takai, T., Takaya, T., Nakano, M., Akutsu, H., Nakagawa, A., Aimoto, S., Nagai, K., and Ikegami, T. (2006) Orexin-A is composed of a highly conserved C-terminal and a specific, hydrophilic N-terminal region, revealing the structural basis of specific recognition by the orexin-1 receptor J. Pept. Sci. 12, 443-454
-
(2006)
J. Pept. Sci.
, vol.12
, pp. 443-454
-
-
Takai, T.1
Takaya, T.2
Nakano, M.3
Akutsu, H.4
Nakagawa, A.5
Aimoto, S.6
Nagai, K.7
Ikegami, T.8
-
35
-
-
33644856430
-
G-protein-coupled OX1 Orexin/hcrtr-1 Hypocretin receptors induce caspase-dependent and-independent cell death through p38 mitogen-/stress- activated protein kinase
-
Ammoun, S., Lindholm, D., Wootz, H., Åkerman, K. E. O., and Kukkonen, J. P. (2006) G-protein-coupled OX1 Orexin/hcrtr-1 Hypocretin receptors induce caspase-dependent and-independent cell death through p38 mitogen-/stress-activated protein kinase J. Biol. Chem. 281, 834-842
-
(2006)
J. Biol. Chem.
, vol.281
, pp. 834-842
-
-
Ammoun, S.1
Lindholm, D.2
Wootz, H.3
Åkerman, K.E.O.4
Kukkonen, J.P.5
-
36
-
-
0037421030
-
Development of an orexin-2 receptor selective agonist, [Ala11, d-Leu15]orexin-B
-
Asahi, S., Egashira, S.-I., Matsuda, M., Iwaasa, H., Kanatani, A., Ohkubo, M., Ihara, M., and Morishima, H. (2003) Development of an orexin-2 receptor selective agonist, [Ala11, d-Leu15]orexin-B Bioorg. Med. Chem. Lett. 13, 111-113
-
(2003)
Bioorg. Med. Chem. Lett.
, vol.13
, pp. 111-113
-
-
Asahi, S.1
Egashira, S.-I.2
Matsuda, M.3
Iwaasa, H.4
Kanatani, A.5
Ohkubo, M.6
Ihara, M.7
Morishima, H.8
-
37
-
-
77953761665
-
Mapping the Binding Pocket of Dual Antagonist Almorexant to Human Orexin 1 and Orexin 2 Receptors: Comparison with the Selective OX1 Antagonist SB-674042 and the Selective OX2 Antagonist N-Ethyl-2-[(6-methoxy-pyridin-3-yl)-(toluene- 2-sulfonyl)-amino]-N-pyridin-3-ylmethyl-acetamide (EMPA)
-
Malherbe, P., Roche, O., Marcuz, A., Kratzeisen, C., Wettstein, J. G., and Bissantz, C. (2010) Mapping the Binding Pocket of Dual Antagonist Almorexant to Human Orexin 1 and Orexin 2 Receptors: Comparison with the Selective OX1 Antagonist SB-674042 and the Selective OX2 Antagonist N-Ethyl-2-[(6-methoxy- pyridin-3-yl)-(toluene-2-sulfonyl)-amino]-N-pyridin-3-ylmethyl-acetamide (EMPA) Mol. Pharmacol. 78, 81-93
-
(2010)
Mol. Pharmacol.
, vol.78
, pp. 81-93
-
-
Malherbe, P.1
Roche, O.2
Marcuz, A.3
Kratzeisen, C.4
Wettstein, J.G.5
Bissantz, C.6
-
38
-
-
0035848404
-
Structure-activity analysis of truncated orexin-A analogues at the orexin-1 receptor
-
Darker, J. G., Porter, R. A., Eggleston, D. S., Smart, D., Brough, S. J., Sabido-David, C., and Jerman, J. C. (2001) Structure-activity analysis of truncated orexin-A analogues at the orexin-1 receptor Bioorg. Med. Chem. Lett. 11, 737-740
-
(2001)
Bioorg. Med. Chem. Lett.
, vol.11
, pp. 737-740
-
-
Darker, J.G.1
Porter, R.A.2
Eggleston, D.S.3
Smart, D.4
Brough, S.J.5
Sabido-David, C.6
Jerman, J.C.7
-
39
-
-
77957055780
-
Integrated methods for construction three dimensional models and computational probing of structure-function relations in G protein-coupled receptors
-
Ballesteros, J. A. and Weinstein, H. (1995) Integrated methods for construction three dimensional models and computational probing of structure-function relations in G protein-coupled receptors Methods Neurosci. 25, 366-428
-
(1995)
Methods Neurosci.
, vol.25
, pp. 366-428
-
-
Ballesteros, J.A.1
Weinstein, H.2
-
40
-
-
84879548723
-
The role of ligands on the equilibria between functional states of a G protein-coupled receptor
-
Kim, T. H., Chung, K. Y., Manglik, A., Hansen, A. L., Dror, R. O., Mildorf, T. J., Shaw, D. E., Kobilka, B. K., and Prosser, R. S. (2013) The role of ligands on the equilibria between functional states of a G protein-coupled receptor J. Am. Chem. Soc. 135, 9465-9474
-
(2013)
J. Am. Chem. Soc.
, vol.135
, pp. 9465-9474
-
-
Kim, T.H.1
Chung, K.Y.2
Manglik, A.3
Hansen, A.L.4
Dror, R.O.5
Mildorf, T.J.6
Shaw, D.E.7
Kobilka, B.K.8
Prosser, R.S.9
-
41
-
-
34250376066
-
Structure and conformational changes in the C-terminal domain of the β32-adrenoceptor: Insights from fluoresence resonance energy transfer studies
-
Granier, S., Kim, S., Shafer, A. M., Ratnala, V. R. P., Fung, J. J., Zare, R. N., and Kobilka, B. (2007) Structure and conformational changes in the C-terminal domain of the β32-adrenoceptor: Insights from fluoresence resonance energy transfer studies J. Biol. Chem. 282, 13895-13905
-
(2007)
J. Biol. Chem.
, vol.282
, pp. 13895-13905
-
-
Granier, S.1
Kim, S.2
Shafer, A.M.3
Ratnala, V.R.P.4
Fung, J.J.5
Zare, R.N.6
Kobilka, B.7
-
42
-
-
84860513814
-
Structure-based drug screening for G-protein-coupled receptors
-
Shoichet, B. K. and Kobilka, B. K. (2012) Structure-based drug screening for G-protein-coupled receptors Trends Pharmacol. Sci. 33, 268-272
-
(2012)
Trends Pharmacol. Sci.
, vol.33
, pp. 268-272
-
-
Shoichet, B.K.1
Kobilka, B.K.2
-
43
-
-
80855128957
-
Conformational dynamics of single G protein-coupled receptors in solution
-
Bockenhauer, S., Fürstenberg, A., Yao, X. J., Kobilka, B. K., and Moerner, W. E. (2011) Conformational dynamics of single G protein-coupled receptors in solution J. Phys. Chem. B 115, 13328-13338
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 13328-13338
-
-
Bockenhauer, S.1
Fürstenberg, A.2
Yao, X.J.3
Kobilka, B.K.4
Moerner, W.E.5
-
44
-
-
67650089750
-
Molecular dynamics simulation of the heterodimeric mglur2/5ht2a complex. An atomistic resolution study of a potential new target in psychiatric conditions
-
Bruno, A., Guadix, A. E., and Costantino, G. (2009) Molecular dynamics simulation of the heterodimeric mglur2/5ht2a complex. An atomistic resolution study of a potential new target in psychiatric conditions J. Chem. Inf. Model. 49, 1602-1616
-
(2009)
J. Chem. Inf. Model.
, vol.49
, pp. 1602-1616
-
-
Bruno, A.1
Guadix, A.E.2
Costantino, G.3
-
45
-
-
34347370129
-
Dynamic models of G-protein coupled receptor dimers: Indications of asymmetry in the rhodopsin dimer from molecular dynamics simulations in a POPC bilayer
-
Filizola, M., Wang, S., and Weinstein, H. (2006) Dynamic models of G-protein coupled receptor dimers: Indications of asymmetry in the rhodopsin dimer from molecular dynamics simulations in a POPC bilayer J. Comput.-Aided Mol. Des. 20, 405-416
-
(2006)
J. Comput.-Aided Mol. Des.
, vol.20
, pp. 405-416
-
-
Filizola, M.1
Wang, S.2
Weinstein, H.3
-
46
-
-
79955811328
-
Recent progress in the study of G protein-coupled receptors with molecular dynamics computer simulations
-
Grossfield, A. (2011) Recent progress in the study of G protein-coupled receptors with molecular dynamics computer simulations Biochim. Biophys. Acta 1808, 1868-1878
-
(2011)
Biochim. Biophys. Acta
, vol.1808
, pp. 1868-1878
-
-
Grossfield, A.1
-
47
-
-
33845900510
-
Molecular dynamics simulation of the human adenosine A3 receptor: Agonist induced conformational changes of Trp243
-
Hallmen, C. and Wiese, M. (2006) Molecular dynamics simulation of the human adenosine A3 receptor: Agonist induced conformational changes of Trp243 J. Comput.-Aided Mol. Des. 20, 673-684
-
(2006)
J. Comput.-Aided Mol. Des.
, vol.20
, pp. 673-684
-
-
Hallmen, C.1
Wiese, M.2
-
48
-
-
84856743821
-
Dynamics of the G protein-coupled vasopressin V2 receptor signaling network revealed by quantitative phosphoproteomics
-
Hoffert, J. D., Pisitkun, T., Saeed, F., Song, J. H., Chou, C.-L., and Knepper, M. A. (2012) Dynamics of the G protein-coupled vasopressin V2 receptor signaling network revealed by quantitative phosphoproteomics Mol. Cell. Proteomics 11, M111.014613
-
(2012)
Mol. Cell. Proteomics
, vol.11
, pp. 111014613
-
-
Hoffert, J.D.1
Pisitkun, T.2
Saeed, F.3
Song, J.H.4
Chou, C.-L.5
Knepper, M.A.6
-
49
-
-
44349158391
-
Expanding GPCR homology model binding sites via a balloon potential: A molecular dynamics refinement approach
-
Kimura, S. R., Tebben, A. J., and Langley, D. R. (2008) Expanding GPCR homology model binding sites via a balloon potential: A molecular dynamics refinement approach Proteins: Struct., Funct., Bioinf. 71, 1919-1929
-
(2008)
Proteins: Struct., Funct., Bioinf.
, vol.71
, pp. 1919-1929
-
-
Kimura, S.R.1
Tebben, A.J.2
Langley, D.R.3
-
50
-
-
79954544003
-
Modeling GPCR active state conformations: The β2-adrenergic receptor
-
Simpson, L. M., Wall, I. D., Blaney, F. E., and Reynolds, C. A. (2011) Modeling GPCR active state conformations: The β2-adrenergic receptor Proteins: Struct., Funct., Bioinf. 79, 1441-1457
-
(2011)
Proteins: Struct., Funct., Bioinf.
, vol.79
, pp. 1441-1457
-
-
Simpson, L.M.1
Wall, I.D.2
Blaney, F.E.3
Reynolds, C.A.4
-
51
-
-
47349116596
-
Activation mechanism of the human histamine H4 receptor; An explicit membrane molecular dynamics simulation study
-
Jojart, B., Kiss, R., Viskolcz, B., and Keseru, G. M. (2008) Activation mechanism of the human histamine H4 receptor; An explicit membrane molecular dynamics simulation study J. Chem. Inf. Model. 48, 1199-1210
-
(2008)
J. Chem. Inf. Model.
, vol.48
, pp. 1199-1210
-
-
Jojart, B.1
Kiss, R.2
Viskolcz, B.3
Keseru, G.M.4
-
52
-
-
84879707465
-
Activation and dynamic network of the M2 muscarinic receptor
-
Miao, Y., Nichols, S. E., Gasper, P. M., Metzger, V. T., and McCammon, J. A. (2013) Activation and dynamic network of the M2 muscarinic receptor Proc. Natl. Acad. Sci. U.S.A. 110, 10982-10987
-
(2013)
Proc. Natl. Acad. Sci. U.S.A.
, vol.110
, pp. 10982-10987
-
-
Miao, Y.1
Nichols, S.E.2
Gasper, P.M.3
Metzger, V.T.4
McCammon, J.A.5
-
53
-
-
78650127789
-
Computing ensembles of transitions from stable states: Dynamics importance sampling
-
Perilla, J. R., Beckstein, O., Denning, E. J., and Woolf, T. B. (2010) Computing ensembles of transitions from stable states: Dynamics importance sampling J. Comput. Chem. 32, 196-209
-
(2010)
J. Comput. Chem.
, vol.32
, pp. 196-209
-
-
Perilla, J.R.1
Beckstein, O.2
Denning, E.J.3
Woolf, T.B.4
-
54
-
-
79959719805
-
The approach of conformational chimeras to model the role of proline-containing helices on GPCR mobility: The fertile case of cys-LTR1
-
Bettinelli, I., Graziani, D., Marconi, C., Pedretti, A., and Vistoli, G. (2011) The approach of conformational chimeras to model the role of proline-containing helices on GPCR mobility: The fertile case of cys-LTR1 ChemMedChem 6, 1217-1227
-
(2011)
ChemMedChem
, vol.6
, pp. 1217-1227
-
-
Bettinelli, I.1
Graziani, D.2
Marconi, C.3
Pedretti, A.4
Vistoli, G.5
-
55
-
-
33750349025
-
Classification of G-protein coupled receptors at four levels
-
Gao, Q.-B. and Wang, Z.-Z. (2006) Classification of G-protein coupled receptors at four levels Protein Eng., Des. Sel. 19, 511-516
-
(2006)
Protein Eng., Des. Sel.
, vol.19
, pp. 511-516
-
-
Gao, Q.-B.1
Wang, Z.-Z.2
-
56
-
-
67650753759
-
Definition of the G protein-coupled receptor transmembrane bundle binding pocket and calculation of receptor similarities for drug design
-
Gloriam, D. E., Foord, S. M., Blaney, F. E., and Garland, S. L. (2009) Definition of the G protein-coupled receptor transmembrane bundle binding pocket and calculation of receptor similarities for drug design J. Med. Chem. 52, 4429-4442
-
(2009)
J. Med. Chem.
, vol.52
, pp. 4429-4442
-
-
Gloriam, D.E.1
Foord, S.M.2
Blaney, F.E.3
Garland, S.L.4
-
57
-
-
67349266230
-
Position of helical kinks in membrane protein crystal structures and the accuracy of computational prediction
-
Hall, S. E., Roberts, K., and Vaidehi, N. (2009) Position of helical kinks in membrane protein crystal structures and the accuracy of computational prediction J. Mol. Graphics Modell. 27, 944-950
-
(2009)
J. Mol. Graphics Modell.
, vol.27
, pp. 944-950
-
-
Hall, S.E.1
Roberts, K.2
Vaidehi, N.3
-
58
-
-
78650702465
-
Improved helix and kink characterization in membrane proteins allows evaluation of kink sequence predictors
-
Langelaan, D. N., Wieczorek, M., Blouin, C., and Rainey, J. K. (2010) improved helix and kink characterization in membrane proteins allows evaluation of kink sequence predictors J. Chem. Inf. Model. 50, 2213-2220
-
(2010)
J. Chem. Inf. Model.
, vol.50
, pp. 2213-2220
-
-
Langelaan, D.N.1
Wieczorek, M.2
Blouin, C.3
Rainey, J.K.4
-
59
-
-
33644509247
-
A general model of G protein-coupled receptor sequences and its application to detect remote homologs
-
Wistrand, M., Käll, L., and Sonnhammer, E. L. L. (2006) A general model of G protein-coupled receptor sequences and its application to detect remote homologs Protein Sci. 15, 509-521
-
(2006)
Protein Sci.
, vol.15
, pp. 509-521
-
-
Wistrand, M.1
Käll, L.2
Sonnhammer, E.L.L.3
-
60
-
-
0742288411
-
The evolution of transmembrane helix kinks and the structural diversity of G protein-coupled receptors
-
Yohannan, S., Faham, S., Yang, D., Whitelegge, J. P., and Bowie, J. U. (2004) The evolution of transmembrane helix kinks and the structural diversity of G protein-coupled receptors Proc. Natl. Acad. Sci. U.S.A. 101, 959-963
-
(2004)
Proc. Natl. Acad. Sci. U.S.A.
, vol.101
, pp. 959-963
-
-
Yohannan, S.1
Faham, S.2
Yang, D.3
Whitelegge, J.P.4
Bowie, J.U.5
-
61
-
-
84873685831
-
Molecular signatures of G-protein-coupled receptors
-
Venkatakrishnan, A. J., Deupi, X., Lebon, G., Tate, C. G., Schertler, G. F., and Babu, M. M. (2013) Molecular signatures of G-protein-coupled receptors Nature 494, 185-194
-
(2013)
Nature
, vol.494
, pp. 185-194
-
-
Venkatakrishnan, A.J.1
Deupi, X.2
Lebon, G.3
Tate, C.G.4
Schertler, G.F.5
Babu, M.M.6
-
62
-
-
84859906798
-
Study of human Orexin-1 and-2-G-protein-coupled receptors with novel and published antagonists by modeling, molecular dynamics simulations, and site-directed mutagenesis
-
Heifetz, A., Morris, G. B., Biggin, P. C., Barker, O., Fryatt, T., Bentley, J., Hallett, D., Manikowski, D., Pal, S., Reifegerste, R., Slack, M., and Law, R. (2012) Study of human Orexin-1 and-2-G-protein-coupled receptors with novel and published antagonists by modeling, molecular dynamics simulations, and site-directed mutagenesis Biochemistry 51, 3178-3197
-
(2012)
Biochemistry
, vol.51
, pp. 3178-3197
-
-
Heifetz, A.1
Morris, G.B.2
Biggin, P.C.3
Barker, O.4
Fryatt, T.5
Bentley, J.6
Hallett, D.7
Manikowski, D.8
Pal, S.9
Reifegerste, R.10
Slack, M.11
Law, R.12
-
63
-
-
0034604451
-
Crystal structure of rhodopsin: A G protein-coupled receptor
-
Palczewski, K., Kumasaka, T., Hori, T., Behnke, C. A., Motoshima, H., Fox, B. A., Le Trong, I., Teller, D. C., Okada, T., Stenkamp, R. E., Yamamoto, M., and Miyano, M. (2000) Crystal structure of rhodopsin: A G protein-coupled receptor Science 289, 739-745
-
(2000)
Science
, vol.289
, pp. 739-745
-
-
Palczewski, K.1
Kumasaka, T.2
Hori, T.3
Behnke, C.A.4
Motoshima, H.5
Fox, B.A.6
Le Trong, I.7
Teller, D.C.8
Okada, T.9
Stenkamp, R.E.10
Yamamoto, M.11
Miyano, M.12
-
64
-
-
78449305788
-
Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist
-
Chien, E. Y. T., Liu, W., Zhao, Q., Katritch, V., Won Han, G., Hanson, M. A., Shi, L., Newman, A. H., Javitch, J. A., Cherezov, V., and Stevens, R. C. (2010) Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist Science 330, 1091-1095
-
(2010)
Science
, vol.330
, pp. 1091-1095
-
-
Chien, E.Y.T.1
Liu, W.2
Zhao, Q.3
Katritch, V.4
Won Han, G.5
Hanson, M.A.6
Shi, L.7
Newman, A.H.8
Javitch, J.A.9
Cherezov, V.10
Stevens, R.C.11
-
65
-
-
77955984298
-
The crystallographic structure of the human adenosine A2A receptor in a high-affinity antagonist-bound state: Implications for GPCR drug screening and design
-
Jaakola, V.-P. and Ijzerman, A. P. (2010) The crystallographic structure of the human adenosine A2A receptor in a high-affinity antagonist-bound state: Implications for GPCR drug screening and design Curr. Opin. Struct. Biol. 20, 401-414
-
(2010)
Curr. Opin. Struct. Biol.
, vol.20
, pp. 401-414
-
-
Jaakola, V.-P.1
Ijzerman, A.P.2
-
66
-
-
36448995359
-
High-resolution crystal structure of an engineered human β2-adrenergic G protein-coupled receptor
-
Cherezov, V., Rosenbaum, D. M., Hanson, M. A., Rasmussen, S. G. F., Thian, F. S., Kobilka, T. S., Choi, H.-J., Kuhn, P., Weis, W. I., Kobilka, B. K., and Stevens, R. C. (2007) High-resolution crystal structure of an engineered human β2-adrenergic G protein-coupled receptor Science 318, 1258-1265
-
(2007)
Science
, vol.318
, pp. 1258-1265
-
-
Cherezov, V.1
Rosenbaum, D.M.2
Hanson, M.A.3
Rasmussen, S.G.F.4
Thian, F.S.5
Kobilka, T.S.6
Choi, H.-J.7
Kuhn, P.8
Weis, W.I.9
Kobilka, B.K.10
Stevens, R.C.11
-
67
-
-
80053199500
-
Modeling the interactions between polyoxometalates and their environment
-
Courcot, B. and Bridgeman, A. J. (2011) Modeling the interactions between polyoxometalates and their environment J. Comput. Chem. 32, 3143-3153
-
(2011)
J. Comput. Chem.
, vol.32
, pp. 3143-3153
-
-
Courcot, B.1
Bridgeman, A.J.2
-
68
-
-
77954256616
-
G-membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation
-
Wolf, M. G., Hoefling, M., Aponte-Santamaría, C., Grubmüller, H., and Groenhof, G. (2010) g-membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation J. Comput. Chem. 31, 2169-2174
-
(2010)
J. Comput. Chem.
, vol.31
, pp. 2169-2174
-
-
Wolf, M.G.1
Hoefling, M.2
Aponte-Santamaría, C.3
Grubmüller, H.4
Groenhof, G.5
-
69
-
-
46249092554
-
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simuation
-
Hess, B., Kutzner, C., van der Spoel, D., and Lindahl, E. (2008) GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simuation J. Chem. Theory Comput. 4, 435-447
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 435-447
-
-
Hess, B.1
Kutzner, C.2
Van Der Spoel, D.3
Lindahl, E.4
-
70
-
-
0029912748
-
Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids
-
Jorgensen, W. L., Maxwell, D. S., and Tirado-Rives, J. (1996) Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids J. Am. Chem. Soc. 118, 11225-11236
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 11225-11236
-
-
Jorgensen, W.L.1
Maxwell, D.S.2
Tirado-Rives, J.3
-
71
-
-
0035913529
-
Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides
-
Kaminski, G. A., Friesner, R. A., Tirado-Rives, J., and Jorgensen, W. L. (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
-
(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
-
72
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen, W. L., Chandresekhar, J., Madura, J. D., Impey, R. W., and Klein, M. L. (1983) Comparison of simple potential functions for simulating liquid water J. Chem. Phys. 79, 926-935
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandresekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
73
-
-
84943200457
-
A leap-frog algorithm for stochastic dynamics
-
Van Gunsteren, W. F. and Berendsen, H. J. C. (1988) A leap-frog algorithm for stochastic dynamics Mol. Simul. 1, 173-185
-
(1988)
Mol. Simul.
, vol.1
, pp. 173-185
-
-
Van Gunsteren, W.F.1
Berendsen, H.J.C.2
-
74
-
-
33645961739
-
A smooth particle mesh Ewald method
-
Essman, U., Perera, L., Berkowitz, M. L., Darden, T., Lee, H., and Pedersen, L. G. (1995) A smooth particle mesh Ewald method J. Chem. Phys. 103, 8577-8593
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 8577-8593
-
-
Essman, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
75
-
-
0000388705
-
LINCS: A linear constraint solver for molecular simulations
-
Hess, B., Bekker, J., Berendsen, H. J. C., and Fraaije, J. G. E. M. (1997) LINCS: A linear constraint solver for molecular simulations J. Comput. Chem. 18, 1463-1472
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 1463-1472
-
-
Hess, B.1
Bekker, J.2
Berendsen, H.J.C.3
Fraaije, J.G.E.M.4
-
76
-
-
84861499934
-
Potential and limitations of ensemble docking
-
Korb, O., Olsson, T. S. G., Bowden, S. J., Hall, R. J., Verdonk, M. L., Liebeschuetz, J. W., and Cole, J. C. (2012) Potential and limitations of ensemble docking J. Chem. Inf. Model. 52, 1262-1274
-
(2012)
J. Chem. Inf. Model.
, vol.52
, pp. 1262-1274
-
-
Korb, O.1
Olsson, T.S.G.2
Bowden, S.J.3
Hall, R.J.4
Verdonk, M.L.5
Liebeschuetz, J.W.6
Cole, J.C.7
-
77
-
-
84865266975
-
Pose prediction and virtual screening performance of GOLD scoring functions in a standardized test
-
Liebeschuetz, J., Cole, J., and Korb, O. (2012) Pose prediction and virtual screening performance of GOLD scoring functions in a standardized test J. Comput.-Aided Mol. Des. 26, 737-748
-
(2012)
J. Comput.-Aided Mol. Des.
, vol.26
, pp. 737-748
-
-
Liebeschuetz, J.1
Cole, J.2
Korb, O.3
-
78
-
-
77956040809
-
Pocket similarity: Are α carbons enough?
-
Feldman, H. J. and Labute, P. (2010) Pocket similarity: Are α carbons enough? J. Chem. Inf. Model. 50, 1466-1475
-
(2010)
J. Chem. Inf. Model.
, vol.50
, pp. 1466-1475
-
-
Feldman, H.J.1
Labute, P.2
-
79
-
-
1542379652
-
Evolutionary trace of G protein-coupled receptors reveals clusters of residues that determine global and class-specific functions
-
Madabushi, S., Gross, A. K., Philippi, A., Meng, E. C., Wensel, T. G., and Lichtarge, O. (2004) Evolutionary trace of G protein-coupled receptors reveals clusters of residues that determine global and class-specific functions J. Biol. Chem. 279, 8126-8132
-
(2004)
J. Biol. Chem.
, vol.279
, pp. 8126-8132
-
-
Madabushi, S.1
Gross, A.K.2
Philippi, A.3
Meng, E.C.4
Wensel, T.G.5
Lichtarge, O.6
-
80
-
-
79955849270
-
Molecular dynamics simulations reveal insights into key structural elements of adenosine receptors
-
Rodriguez, D., Pineiro, A., and Gutirrez-de-Teran, H. (2011) Molecular dynamics simulations reveal insights into key structural elements of adenosine receptors Biochemistry 50, 4194-4208
-
(2011)
Biochemistry
, vol.50
, pp. 4194-4208
-
-
Rodriguez, D.1
Pineiro, A.2
Gutirrez-De-Teran, H.3
-
81
-
-
33947427870
-
Relationship among ligand conformations in solution, in the solid state, and at the HSP90 binding site: Geldanamycin and radicicol
-
Thepchatri, P., Eliseo, T., Cicero, D. O., Myles, D., and Snyder, J. P. (2007) Relationship among ligand conformations in solution, in the solid state, and at the HSP90 binding site: Geldanamycin and radicicol J. Am. Chem. Soc. 129, 3127-3134
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 3127-3134
-
-
Thepchatri, P.1
Eliseo, T.2
Cicero, D.O.3
Myles, D.4
Snyder, J.P.5
-
82
-
-
0036434192
-
3: Evidence that hydrogen bonding facilitates oxidative addition of the O-H bond
-
3: Evidence that hydrogen bonding facilitates oxidative addition of the O-H bond Chem. Commun. 21, 2644-2645
-
(2002)
Chem. Commun.
, vol.21
, pp. 2644-2645
-
-
Hascall, T.1
Baik, M.H.2
Bridgewater, B.M.3
Shin, J.H.4
Churchill, D.G.5
Friesner, R.A.6
Parkin, G.7
-
83
-
-
77955665196
-
MP2, density functional theory, and molecular mechanical calculations of C-H···π and hydrogen bond interactions in a cellulose-binding module-cellulose model system
-
Mohamed, M. N. A., Watts, H. D., Guo, J., Catchmark, J. M., and Kubicki, J. D. (2010) MP2, density functional theory, and molecular mechanical calculations of C-H···π and hydrogen bond interactions in a cellulose-binding module-cellulose model system Carbohydr. Res. 345, 1741-1751
-
(2010)
Carbohydr. Res.
, vol.345
, pp. 1741-1751
-
-
Mohamed, M.N.A.1
Watts, H.D.2
Guo, J.3
Catchmark, J.M.4
Kubicki, J.D.5
-
84
-
-
84858164791
-
Action of molecular switches in GPCRs: Theoretical and experimental studies
-
Trzaskowski, B., Latek, D., Yuan, S., Ghoshdastider, U., Debinski, A., and Filipek, S. (2012) Action of molecular switches in GPCRs: Theoretical and experimental studies Curr. Med. Chem. 19, 1090-1109
-
(2012)
Curr. Med. Chem.
, vol.19
, pp. 1090-1109
-
-
Trzaskowski, B.1
Latek, D.2
Yuan, S.3
Ghoshdastider, U.4
Debinski, A.5
Filipek, S.6
-
85
-
-
82355168443
-
String kernels and high-quality data set for improved prediction of kinked helices in α-helical membrane proteins
-
Kneissl, B., Mueller, S. C., Tautermann, C. S., and Hildebrandt, A. (2011) String kernels and high-quality data set for improved prediction of kinked helices in α-helical membrane proteins J. Chem. Inf. Model. 51, 3017-3025
-
(2011)
J. Chem. Inf. Model.
, vol.51
, pp. 3017-3025
-
-
Kneissl, B.1
Mueller, S.C.2
Tautermann, C.S.3
Hildebrandt, A.4
-
86
-
-
84872527828
-
Chapter two: Conformational ensemble view of G protein-coupled receptors and the effect of mutations and ligand binding
-
In (Conn, P. M. Ed.) pp, Academic Press, New York
-
Abrol, R., Kim, S.-K., Bray, J. K., Trzaskowski, B., and Goddard, W. A., III (2013) Chapter two: Conformational ensemble view of G protein-coupled receptors and the effect of mutations and ligand binding. In Methods in Enzymology (Conn, P. M., Ed.) pp 31-48, Academic Press, New York.
-
(2013)
Methods in Enzymology
, pp. 31-48
-
-
Abrol, R.1
Kim, S.-K.2
Bray, J.K.3
Trzaskowski, B.4
-
87
-
-
84865436871
-
A crystal clear solution for determining G-protein-coupled receptor structures
-
Tate, C. G. (2012) A crystal clear solution for determining G-protein-coupled receptor structures Trends Biochem. Sci. 37, 343-352
-
(2012)
Trends Biochem. Sci.
, vol.37
, pp. 343
-
-
Tate, C.G.1
|