-
1
-
-
76449098262
-
PHENIX: A comprehensive Python-based system for macromolecular structure solution
-
Adams, P.D., Afonine, P.V., Bunkóczi, G., Chen, V.B., Davis, I.W., Echols, N., Headd, J.J., Hung, L.W., Kapral, G.J., Grosse-Kunstleve, R.W., et al. PHENIX: A comprehensive Python-based system for macromolecular structure solution. Acta Crystallogr. D Biol. Crystallogr. 66 (2010), 213–221.
-
(2010)
Acta Crystallogr. D Biol. Crystallogr.
, vol.66
, pp. 213-221
-
-
Adams, P.D.1
Afonine, P.V.2
Bunkóczi, G.3
Chen, V.B.4
Davis, I.W.5
Echols, N.6
Headd, J.J.7
Hung, L.W.8
Kapral, G.J.9
Grosse-Kunstleve, R.W.10
-
2
-
-
81055145330
-
Discovery of β-arrestin-biased dopamine D2 ligands for probing signal transduction pathways essential for antipsychotic efficacy
-
Allen, J.A., Yost, J.M., Setola, V., Chen, X., Sassano, M.F., Chen, M., Peterson, S., Yadav, P.N., Huang, X.P., Feng, B., et al. Discovery of β-arrestin-biased dopamine D2 ligands for probing signal transduction pathways essential for antipsychotic efficacy. Proc. Natl. Acad. Sci. USA 108 (2011), 18488–18493.
-
(2011)
Proc. Natl. Acad. Sci. USA
, vol.108
, pp. 18488-18493
-
-
Allen, J.A.1
Yost, J.M.2
Setola, V.3
Chen, X.4
Sassano, M.F.5
Chen, M.6
Peterson, S.7
Yadav, P.N.8
Huang, X.P.9
Feng, B.10
-
3
-
-
0015501985
-
Molecular structure of LSD
-
Baker, R.W., Chothia, C., Pauling, P., Weber, H.P., Molecular structure of LSD. Science 178 (1972), 614–615.
-
(1972)
Science
, vol.178
, pp. 614-615
-
-
Baker, R.W.1
Chothia, C.2
Pauling, P.3
Weber, H.P.4
-
4
-
-
0016695856
-
Stereospecific binding of D-lysergic acid diethylamide (LSD) to brain membranes: Relationship to serotonin receptors
-
Bennett, J.P. Jr., Snyder, S.H., Stereospecific binding of D-lysergic acid diethylamide (LSD) to brain membranes: Relationship to serotonin receptors. Brain Res. 94 (1975), 523–544.
-
(1975)
Brain Res.
, vol.94
, pp. 523-544
-
-
Bennett, J.P.1
Snyder, S.H.2
-
5
-
-
64549158645
-
The expanded biology of serotonin
-
Berger, M., Gray, J.A., Roth, B.L., The expanded biology of serotonin. Annu. Rev. Med. 60 (2009), 355–366.
-
(2009)
Annu. Rev. Med.
, vol.60
, pp. 355-366
-
-
Berger, M.1
Gray, J.A.2
Roth, B.L.3
-
6
-
-
84865758046
-
Inclusion of many-body effects in the additive CHARMM protein CMAP potential results in enhanced cooperativity of α-helix and β-hairpin formation
-
Best, R.B., Mittal, J., Feig, M., MacKerell, A.D. Jr., Inclusion of many-body effects in the additive CHARMM protein CMAP potential results in enhanced cooperativity of α-helix and β-hairpin formation. Biophys. J. 103 (2012), 1045–1051.
-
(2012)
Biophys. J.
, vol.103
, pp. 1045-1051
-
-
Best, R.B.1
Mittal, J.2
Feig, M.3
MacKerell, A.D.4
-
7
-
-
84865723813
-
Optimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone φ, ψ and side-chain χ(1) and χ(2) dihedral angles
-
Best, R.B., Zhu, X., Shim, J., Lopes, P.E., Mittal, J., Feig, M., Mackerell, A.D. Jr., Optimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone φ, ψ and side-chain χ(1) and χ(2) dihedral angles. J. Chem. Theory Comput. 8 (2012), 3257–3273.
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 3257-3273
-
-
Best, R.B.1
Zhu, X.2
Shim, J.3
Lopes, P.E.4
Mittal, J.5
Feig, M.6
Mackerell, A.D.7
-
8
-
-
0021058380
-
Operational models of pharmacological agonism
-
Black, J.W., Leff, P., Operational models of pharmacological agonism. Proc. R. Soc. Lond. B Biol. Sci. 220 (1983), 141–162.
-
(1983)
Proc. R. Soc. Lond. B Biol. Sci.
, vol.220
, pp. 141-162
-
-
Black, J.W.1
Leff, P.2
-
10
-
-
32144459473
-
Quantification of isozyme-specific activation of phospholipase C-beta2 by Rac GTPases and phospholipase C-epsilon by Rho GTPases in an intact cell assay system
-
Bourdon, D.M., Wing, M.R., Edwards, E.B., Sondek, J., Harden, T.K., Quantification of isozyme-specific activation of phospholipase C-beta2 by Rac GTPases and phospholipase C-epsilon by Rho GTPases in an intact cell assay system. Methods Enzymol. 406 (2006), 489–499.
-
(2006)
Methods Enzymol.
, vol.406
, pp. 489-499
-
-
Bourdon, D.M.1
Wing, M.R.2
Edwards, E.B.3
Sondek, J.4
Harden, T.K.5
-
11
-
-
67649392795
-
Crystallizing membrane proteins using lipidic mesophases
-
Caffrey, M., Cherezov, V., Crystallizing membrane proteins using lipidic mesophases. Nat. Protoc. 4 (2009), 706–731.
-
(2009)
Nat. Protoc.
, vol.4
, pp. 706-731
-
-
Caffrey, M.1
Cherezov, V.2
-
12
-
-
84964792528
-
Neural correlates of the LSD experience revealed by multimodal neuroimaging
-
Carhart-Harris, R.L., Muthukumaraswamy, S., Roseman, L., Kaelen, M., Droog, W., Murphy, K., Tagliazucchi, E., Schenberg, E.E., Nest, T., Orban, C., et al. Neural correlates of the LSD experience revealed by multimodal neuroimaging. Proc. Natl. Acad. Sci. USA 113 (2016), 4853–4858.
-
(2016)
Proc. Natl. Acad. Sci. USA
, vol.113
, pp. 4853-4858
-
-
Carhart-Harris, R.L.1
Muthukumaraswamy, S.2
Roseman, L.3
Kaelen, M.4
Droog, W.5
Murphy, K.6
Tagliazucchi, E.7
Schenberg, E.E.8
Nest, T.9
Orban, C.10
-
13
-
-
84982803363
-
Structure of the adenosine A(2A) receptor bound to an engineered G protein
-
Carpenter, B., Nehmé, R., Warne, T., Leslie, A.G., Tate, C.G., Structure of the adenosine A(2A) receptor bound to an engineered G protein. Nature 536 (2016), 104–107.
-
(2016)
Nature
, vol.536
, pp. 104-107
-
-
Carpenter, B.1
Nehmé, R.2
Warne, T.3
Leslie, A.G.4
Tate, C.G.5
-
14
-
-
85010655492
-
T.E., Darden, T.A., Duke, R.E., Giese, T.J., Gohlke, H., Goetz, A.W., et al
-
AMBER
-
Case, D.A., Berryman, J.T., Betz, R.M., Cerutti, D.S., Cheatham, I., T.E., Darden, T.A., Duke, R.E., Giese, T.J., Gohlke, H., Goetz, A.W., et al. 2015, AMBER.
-
(2015)
-
-
Case, D.A.1
Berryman, J.T.2
Betz, R.M.3
Cerutti, D.S.4
Cheatham, I.5
-
15
-
-
33748905333
-
Model for aqueous solvation based on class IV atomic charges and first solvation shell effects
-
Chambers, C.C., Hawkins, G.D., Cramer, C.J., Truhlar, D.G., Model for aqueous solvation based on class IV atomic charges and first solvation shell effects. J. Phys. Chem. 100 (1996), 16385–16398.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 16385-16398
-
-
Chambers, C.C.1
Hawkins, G.D.2
Cramer, C.J.3
Truhlar, D.G.4
-
16
-
-
78449305788
-
Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist
-
Chien, E.Y., Liu, W., Zhao, Q., Katritch, V., Han, G.W., Hanson, M.A., Shi, L., Newman, A.H., Javitch, J.A., Cherezov, V., Stevens, R.C., Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist. Science 330 (2010), 1091–1095.
-
(2010)
Science
, vol.330
, pp. 1091-1095
-
-
Chien, E.Y.1
Liu, W.2
Zhao, Q.3
Katritch, V.4
Han, G.W.5
Hanson, M.A.6
Shi, L.7
Newman, A.H.8
Javitch, J.A.9
Cherezov, V.10
Stevens, R.C.11
-
17
-
-
0028906185
-
Differential ergoline and ergopeptine binding to 5-hydroxytryptamine2A receptors: Ergolines require an aromatic residue at position 340 for high affinity binding
-
Choudhary, M.S., Sachs, N., Uluer, A., Glennon, R.A., Westkaemper, R.B., Roth, B.L., Differential ergoline and ergopeptine binding to 5-hydroxytryptamine2A receptors: Ergolines require an aromatic residue at position 340 for high affinity binding. Mol. Pharmacol. 47 (1995), 450–457.
-
(1995)
Mol. Pharmacol.
, vol.47
, pp. 450-457
-
-
Choudhary, M.S.1
Sachs, N.2
Uluer, A.3
Glennon, R.A.4
Westkaemper, R.B.5
Roth, B.L.6
-
18
-
-
0036405903
-
Redesign of a four-helix bundle protein by phage display coupled with proteolysis and structural characterization by NMR and X-ray crystallography
-
Chu, R., Takei, J., Knowlton, J.R., Andrykovitch, M., Pei, W., Kajava, A.V., Steinbach, P.J., Ji, X., Bai, Y., Redesign of a four-helix bundle protein by phage display coupled with proteolysis and structural characterization by NMR and X-ray crystallography. J. Mol. Biol. 323 (2002), 253–262.
-
(2002)
J. Mol. Biol.
, vol.323
, pp. 253-262
-
-
Chu, R.1
Takei, J.2
Knowlton, J.R.3
Andrykovitch, M.4
Pei, W.5
Kajava, A.V.6
Steinbach, P.J.7
Ji, X.8
Bai, Y.9
-
19
-
-
84861984672
-
Fusion partner toolchest for the stabilization and crystallization of G protein-coupled receptors
-
Chun, E., Thompson, A.A., Liu, W., Roth, C.B., Griffith, M.T., Katritch, V., Kunken, J., Xu, F., Cherezov, V., Hanson, M.A., Stevens, R.C., Fusion partner toolchest for the stabilization and crystallization of G protein-coupled receptors. Structure 20 (2012), 967–976.
-
(2012)
Structure
, vol.20
, pp. 967-976
-
-
Chun, E.1
Thompson, A.A.2
Liu, W.3
Roth, C.B.4
Griffith, M.T.5
Katritch, V.6
Kunken, J.7
Xu, F.8
Cherezov, V.9
Hanson, M.A.10
Stevens, R.C.11
-
20
-
-
84885035566
-
Ligand pose and orientational sampling in molecular docking
-
Coleman, R.G., Carchia, M., Sterling, T., Irwin, J.J., Shoichet, B.K., Ligand pose and orientational sampling in molecular docking. PLoS ONE, 8, 2013, e75992.
-
(2013)
PLoS ONE
, vol.8
, pp. e75992
-
-
Coleman, R.G.1
Carchia, M.2
Sterling, T.3
Irwin, J.J.4
Shoichet, B.K.5
-
21
-
-
33748325882
-
Drug-target residence time and its implications for lead optimization
-
Copeland, R.A., Pompliano, D.L., Meek, T.D., Drug-target residence time and its implications for lead optimization. Nat. Rev. Drug Discov. 5 (2006), 730–739.
-
(2006)
Nat. Rev. Drug Discov.
, vol.5
, pp. 730-739
-
-
Copeland, R.A.1
Pompliano, D.L.2
Meek, T.D.3
-
22
-
-
84964711784
-
Pharmacokinetics and concentration-effect relationship of oral LSD in humans
-
Dolder, P.C., Schmid, Y., Haschke, M., Rentsch, K.M., Liechti, M.E., Pharmacokinetics and concentration-effect relationship of oral LSD in humans. Int. J. Neuropsychopharmacol., 19, 2015, 19.
-
(2015)
Int. J. Neuropsychopharmacol.
, vol.19
, pp. 19
-
-
Dolder, P.C.1
Schmid, Y.2
Haschke, M.3
Rentsch, K.M.4
Liechti, M.E.5
-
23
-
-
33747818007
-
CASTp: Computed atlas of surface topography of proteins with structural and topographical mapping of functionally annotated residues
-
W116-8
-
Dundas, J., Ouyang, Z., Tseng, J., Binkowski, A., Turpaz, Y., Liang, J., CASTp: Computed atlas of surface topography of proteins with structural and topographical mapping of functionally annotated residues. Nucleic Acids Res., 34, 2006 W116-8.
-
(2006)
Nucleic Acids Res.
, vol.34
-
-
Dundas, J.1
Ouyang, Z.2
Tseng, J.3
Binkowski, A.4
Turpaz, Y.5
Liang, J.6
-
24
-
-
77949535720
-
Features and development of Coot
-
Emsley, P., Lohkamp, B., Scott, W.G., Cowtan, K., Features and development of Coot. Acta Crystallogr. D Biol. Crystallogr. 66 (2010), 486–501.
-
(2010)
Acta Crystallogr. D Biol. Crystallogr.
, vol.66
, pp. 486-501
-
-
Emsley, P.1
Lohkamp, B.2
Scott, W.G.3
Cowtan, K.4
-
25
-
-
0031872177
-
Electrostatic contributions to heat capacity changes of DNA-ligand binding
-
Gallagher, K., Sharp, K., Electrostatic contributions to heat capacity changes of DNA-ligand binding. Biophys. J. 75 (1998), 769–776.
-
(1998)
Biophys. J.
, vol.75
, pp. 769-776
-
-
Gallagher, K.1
Sharp, K.2
-
26
-
-
84918532648
-
LSD-assisted psychotherapy for anxiety associated with a life-threatening disease: A qualitative study of acute and sustained subjective effects
-
Gasser, P., Kirchner, K., Passie, T., LSD-assisted psychotherapy for anxiety associated with a life-threatening disease: A qualitative study of acute and sustained subjective effects. J. Psychopharmacol. (Oxford) 29 (2015), 57–68.
-
(2015)
J. Psychopharmacol. (Oxford)
, vol.29
, pp. 57-68
-
-
Gasser, P.1
Kirchner, K.2
Passie, T.3
-
27
-
-
0034603147
-
The effect of pH on beta(2) adrenoceptor function. Evidence for protonation-dependent activation
-
Ghanouni, P., Schambye, H., Seifert, R., Lee, T.W., Rasmussen, S.G., Gether, U., Kobilka, B.K., The effect of pH on beta(2) adrenoceptor function. Evidence for protonation-dependent activation. J. Biol. Chem. 275 (2000), 3121–3127.
-
(2000)
J. Biol. Chem.
, vol.275
, pp. 3121-3127
-
-
Ghanouni, P.1
Schambye, H.2
Seifert, R.3
Lee, T.W.4
Rasmussen, S.G.5
Gether, U.6
Kobilka, B.K.7
-
28
-
-
33846549510
-
Hallucinogens recruit specific cortical 5-HT(2A) receptor-mediated signaling pathways to affect behavior
-
González-Maeso, J., Weisstaub, N.V., Zhou, M., Chan, P., Ivic, L., Ang, R., Lira, A., Bradley-Moore, M., Ge, Y., Zhou, Q., et al. Hallucinogens recruit specific cortical 5-HT(2A) receptor-mediated signaling pathways to affect behavior. Neuron 53 (2007), 439–452.
-
(2007)
Neuron
, vol.53
, pp. 439-452
-
-
González-Maeso, J.1
Weisstaub, N.V.2
Zhou, M.3
Chan, P.4
Ivic, L.5
Ang, R.6
Lira, A.7
Bradley-Moore, M.8
Ge, Y.9
Zhou, Q.10
-
29
-
-
24144488192
-
High-throughput screening of G protein-coupled receptor antagonists using a bioluminescence resonance energy transfer 1-based beta-arrestin2 recruitment assay
-
Hamdan, F.F., Audet, M., Garneau, P., Pelletier, J., Bouvier, M., High-throughput screening of G protein-coupled receptor antagonists using a bioluminescence resonance energy transfer 1-based beta-arrestin2 recruitment assay. J. Biomol. Screen. 10 (2005), 463–475.
-
(2005)
J. Biomol. Screen.
, vol.10
, pp. 463-475
-
-
Hamdan, F.F.1
Audet, M.2
Garneau, P.3
Pelletier, J.4
Bouvier, M.5
-
30
-
-
34848882182
-
Profiling of membrane protein variants in a baculovirus system by coupling cell-surface detection with small-scale parallel expression
-
Hanson, M.A., Brooun, A., Baker, K.A., Jaakola, V.P., Roth, C., Chien, E.Y., Alexandrov, A., Velasquez, J., Davis, L., Griffith, M., et al. Profiling of membrane protein variants in a baculovirus system by coupling cell-surface detection with small-scale parallel expression. Protein Expr. Purif. 56 (2007), 85–92.
-
(2007)
Protein Expr. Purif.
, vol.56
, pp. 85-92
-
-
Hanson, M.A.1
Brooun, A.2
Baker, K.A.3
Jaakola, V.P.4
Roth, C.5
Chien, E.Y.6
Alexandrov, A.7
Velasquez, J.8
Davis, L.9
Griffith, M.10
-
31
-
-
77951986384
-
Conformer generation with OMEGA: Algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database
-
Hawkins, P.C., Skillman, A.G., Warren, G.L., Ellingson, B.A., Stahl, M.T., Conformer generation with OMEGA: Algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database. J. Chem. Inf. Model. 50 (2010), 572–584.
-
(2010)
J. Chem. Inf. Model.
, vol.50
, pp. 572-584
-
-
Hawkins, P.C.1
Skillman, A.G.2
Warren, G.L.3
Ellingson, B.A.4
Stahl, M.T.5
-
32
-
-
0018307170
-
How LSD originated
-
Hofmann, A., How LSD originated. J. Psychedelic Drugs 11 (1979), 53–60.
-
(1979)
J. Psychedelic Drugs
, vol.11
, pp. 53-60
-
-
Hofmann, A.1
-
33
-
-
84927779536
-
Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning
-
Hopkins, C.W., Le Grand, S., Walker, R.C., Roitberg, A.E., Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning. J. Chem. Theory Comput. 11 (2015), 1864–1874.
-
(2015)
J. Chem. Theory Comput.
, vol.11
, pp. 1864-1874
-
-
Hopkins, C.W.1
Le Grand, S.2
Walker, R.C.3
Roitberg, A.E.4
-
34
-
-
84882643757
-
CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data
-
Huang, J., MacKerell, A.D. Jr., CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data. J. Comput. Chem. 34 (2013), 2135–2145.
-
(2013)
J. Comput. Chem.
, vol.34
, pp. 2135-2145
-
-
Huang, J.1
MacKerell, A.D.2
-
35
-
-
70349310091
-
Parallel functional activity profiling reveals valvulopathogens are potent 5-hydroxytryptamine(2B) receptor agonists: Implications for drug safety assessment
-
Huang, X.P., Setola, V., Yadav, P.N., Allen, J.A., Rogan, S.C., Hanson, B.J., Revankar, C., Robers, M., Doucette, C., Roth, B.L., Parallel functional activity profiling reveals valvulopathogens are potent 5-hydroxytryptamine(2B) receptor agonists: Implications for drug safety assessment. Mol. Pharmacol. 76 (2009), 710–722.
-
(2009)
Mol. Pharmacol.
, vol.76
, pp. 710-722
-
-
Huang, X.P.1
Setola, V.2
Yadav, P.N.3
Allen, J.A.4
Rogan, S.C.5
Hanson, B.J.6
Revankar, C.7
Robers, M.8
Doucette, C.9
Roth, B.L.10
-
36
-
-
84948440927
-
Allosteric ligands for the pharmacologically dark receptors GPR68 and GPR65
-
Huang, X.P., Karpiak, J., Kroeze, W.K., Zhu, H., Chen, X., Moy, S.S., Saddoris, K.A., Nikolova, V.D., Farrell, M.S., Wang, S., et al. Allosteric ligands for the pharmacologically dark receptors GPR68 and GPR65. Nature 527 (2015), 477–483.
-
(2015)
Nature
, vol.527
, pp. 477-483
-
-
Huang, X.P.1
Karpiak, J.2
Kroeze, W.K.3
Zhu, H.4
Chen, X.5
Moy, S.S.6
Saddoris, K.A.7
Nikolova, V.D.8
Farrell, M.S.9
Wang, S.10
-
37
-
-
0029878720
-
VMD: Visual molecular dynamics
-
Humphrey, W., Dalke, A., Schulten, K., VMD: Visual molecular dynamics. J. Mol. Graph 14 (1996), 33–38.
-
(1996)
J. Mol. Graph
, vol.14
, pp. 33-38
-
-
Humphrey, W.1
Dalke, A.2
Schulten, K.3
-
38
-
-
0031594813
-
5-Hydroxytryptamine2A serotonin receptors in the primate cerebral cortex: Possible site of action of hallucinogenic and antipsychotic drugs in pyramidal cell apical dendrites
-
Jakab, R.L., Goldman-Rakic, P.S., 5-Hydroxytryptamine2A serotonin receptors in the primate cerebral cortex: Possible site of action of hallucinogenic and antipsychotic drugs in pyramidal cell apical dendrites. Proc. Natl. Acad. Sci. USA 95 (1998), 735–740.
-
(1998)
Proc. Natl. Acad. Sci. USA
, vol.95
, pp. 735-740
-
-
Jakab, R.L.1
Goldman-Rakic, P.S.2
-
39
-
-
0015624097
-
Emetic activity of reduced lysergamides
-
Johnson, F.N., Ary, I.E., Teiger, D.G., Kassel, R.J., Emetic activity of reduced lysergamides. J. Med. Chem. 16 (1973), 532–537.
-
(1973)
J. Med. Chem.
, vol.16
, pp. 532-537
-
-
Johnson, F.N.1
Ary, I.E.2
Teiger, D.G.3
Kassel, R.J.4
-
40
-
-
0029991350
-
Transfecting mammalian cells: Optimization of critical parameters affecting calcium-phosphate precipitate formation
-
Jordan, M., Schallhorn, A., Wurm, F.M., Transfecting mammalian cells: Optimization of critical parameters affecting calcium-phosphate precipitate formation. Nucleic Acids Res. 24 (1996), 596–601.
-
(1996)
Nucleic Acids Res.
, vol.24
, pp. 596-601
-
-
Jordan, M.1
Schallhorn, A.2
Wurm, F.M.3
-
41
-
-
84938359988
-
Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser
-
Kang, Y., Zhou, X.E., Gao, X., He, Y., Liu, W., Ishchenko, A., Barty, A., White, T.A., Yefanov, O., Han, G.W., et al. Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser. Nature 523 (2015), 561–567.
-
(2015)
Nature
, vol.523
, pp. 561-567
-
-
Kang, Y.1
Zhou, X.E.2
Gao, X.3
He, Y.4
Liu, W.5
Ishchenko, A.6
Barty, A.7
White, T.A.8
Yefanov, O.9
Han, G.W.10
-
42
-
-
84858775788
-
A simple method for quantifying functional selectivity and agonist bias
-
Kenakin, T., Watson, C., Muniz-Medina, V., Christopoulos, A., Novick, S., A simple method for quantifying functional selectivity and agonist bias. ACS Chem. Neurosci. 3 (2012), 193–203.
-
(2012)
ACS Chem. Neurosci.
, vol.3
, pp. 193-203
-
-
Kenakin, T.1
Watson, C.2
Muniz-Medina, V.3
Christopoulos, A.4
Novick, S.5
-
43
-
-
77953377650
-
Update of the CHARMM all-atom additive force field for lipids: Validation on six lipid types
-
Klauda, J.B., Venable, R.M., Freites, J.A., O'Connor, J.W., Tobias, D.J., Mondragon-Ramirez, C., Vorobyov, I., MacKerell, A.D. Jr., Pastor, R.W., Update of the CHARMM all-atom additive force field for lipids: Validation on six lipid types. J. Phys. Chem. B 114 (2010), 7830–7843.
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 7830-7843
-
-
Klauda, J.B.1
Venable, R.M.2
Freites, J.A.3
O'Connor, J.W.4
Tobias, D.J.5
Mondragon-Ramirez, C.6
Vorobyov, I.7
MacKerell, A.D.8
Pastor, R.W.9
-
44
-
-
84929285245
-
PRESTO-Tango as an open-source resource for interrogation of the druggable human GPCRome
-
Kroeze, W.K., Sassano, M.F., Huang, X.P., Lansu, K., McCorvy, J.D., Giguère, P.M., Sciaky, N., Roth, B.L., PRESTO-Tango as an open-source resource for interrogation of the druggable human GPCRome. Nat. Struct. Mol. Biol. 22 (2015), 362–369.
-
(2015)
Nat. Struct. Mol. Biol.
, vol.22
, pp. 362-369
-
-
Kroeze, W.K.1
Sassano, M.F.2
Huang, X.P.3
Lansu, K.4
McCorvy, J.D.5
Giguère, P.M.6
Sciaky, N.7
Roth, B.L.8
-
45
-
-
0000958036
-
New Class IV Charge Model for Extracting Accurate Partial Charges from Wave Functions
-
Li, J., Zhu, T., Cramer, C.J., Truhlar, D.G., New Class IV Charge Model for Extracting Accurate Partial Charges from Wave Functions. J. Phys. Chem. A 102 (1998), 1820–1831.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 1820-1831
-
-
Li, J.1
Zhu, T.2
Cramer, C.J.3
Truhlar, D.G.4
-
46
-
-
84890840505
-
Serial femtosecond crystallography of G protein-coupled receptors
-
Liu, W., Wacker, D., Gati, C., Han, G.W., James, D., Wang, D., Nelson, G., Weierstall, U., Katritch, V., Barty, A., et al. Serial femtosecond crystallography of G protein-coupled receptors. Science 342 (2013), 1521–1524.
-
(2013)
Science
, vol.342
, pp. 1521-1524
-
-
Liu, W.1
Wacker, D.2
Gati, C.3
Han, G.W.4
James, D.5
Wang, D.6
Nelson, G.7
Weierstall, U.8
Katritch, V.9
Barty, A.10
-
47
-
-
33644861214
-
OPM: Orientations of proteins in membranes database
-
Lomize, M.A., Lomize, A.L., Pogozheva, I.D., Mosberg, H.I., OPM: Orientations of proteins in membranes database. Bioinformatics 22 (2006), 623–625.
-
(2006)
Bioinformatics
, vol.22
, pp. 623-625
-
-
Lomize, M.A.1
Lomize, A.L.2
Pogozheva, I.D.3
Mosberg, H.I.4
-
48
-
-
0041784950
-
All-atom empirical potential for molecular modeling and dynamics studies of proteins
-
MacKerell, A.D., Bashford, D., Bellott, M., Dunbrack, R.L., Evanseck, J.D., Field, M.J., Fischer, S., Gao, J., Guo, H., Ha, S., et al. All-atom empirical potential for molecular modeling and dynamics studies of proteins. J. Phys. Chem. B 102 (1998), 3586–3616.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 3586-3616
-
-
MacKerell, A.D.1
Bashford, D.2
Bellott, M.3
Dunbrack, R.L.4
Evanseck, J.D.5
Field, M.J.6
Fischer, S.7
Gao, J.8
Guo, H.9
Ha, S.10
-
49
-
-
84984612101
-
Structure-based discovery of opioid analgesics with reduced side effects
-
Manglik, A., Lin, H., Aryal, D.K., McCorvy, J.D., Dengler, D., Corder, G., Levit, A., Kling, R.C., Bernat, V., Hübner, H., et al. Structure-based discovery of opioid analgesics with reduced side effects. Nature 537 (2016), 185–190.
-
(2016)
Nature
, vol.537
, pp. 185-190
-
-
Manglik, A.1
Lin, H.2
Aryal, D.K.3
McCorvy, J.D.4
Dengler, D.5
Corder, G.6
Levit, A.7
Kling, R.C.8
Bernat, V.9
Hübner, H.10
-
50
-
-
51649084026
-
Antagonism of dopamine D2 receptor/beta-arrestin 2 interaction is a common property of clinically effective antipsychotics
-
Masri, B., Salahpour, A., Didriksen, M., Ghisi, V., Beaulieu, J.M., Gainetdinov, R.R., Caron, M.G., Antagonism of dopamine D2 receptor/beta-arrestin 2 interaction is a common property of clinically effective antipsychotics. Proc. Natl. Acad. Sci. USA 105 (2008), 13656–13661.
-
(2008)
Proc. Natl. Acad. Sci. USA
, vol.105
, pp. 13656-13661
-
-
Masri, B.1
Salahpour, A.2
Didriksen, M.3
Ghisi, V.4
Beaulieu, J.M.5
Gainetdinov, R.R.6
Caron, M.G.7
-
51
-
-
34447508216
-
Phaser crystallographic software
-
McCoy, A.J., Grosse-Kunstleve, R.W., Adams, P.D., Winn, M.D., Storoni, L.C., Read, R.J., Phaser crystallographic software. J. Appl. Cryst. 40 (2007), 658–674.
-
(2007)
J. Appl. Cryst.
, vol.40
, pp. 658-674
-
-
McCoy, A.J.1
Grosse-Kunstleve, R.W.2
Adams, P.D.3
Winn, M.D.4
Storoni, L.C.5
Read, R.J.6
-
52
-
-
33745933955
-
HKL-3000: The integration of data reduction and structure solution-from diffraction images to an initial model in minutes
-
Minor, W., Cymborowski, M., Otwinowski, Z., Chruszcz, M., HKL-3000: The integration of data reduction and structure solution-from diffraction images to an initial model in minutes. Acta Crystallogr. D Biol. Crystallogr. 62 (2006), 859–866.
-
(2006)
Acta Crystallogr. D Biol. Crystallogr.
, vol.62
, pp. 859-866
-
-
Minor, W.1
Cymborowski, M.2
Otwinowski, Z.3
Chruszcz, M.4
-
53
-
-
0021336303
-
The kinetics of competitive radioligand binding predicted by the law of mass action
-
Motulsky, H.J., Mahan, L.C., The kinetics of competitive radioligand binding predicted by the law of mass action. Mol. Pharmacol. 25 (1984), 1–9.
-
(1984)
Mol. Pharmacol.
, vol.25
, pp. 1-9
-
-
Motulsky, H.J.1
Mahan, L.C.2
-
54
-
-
0030924992
-
Refinement of macromolecular structures by the maximum-likelihood method
-
Murshudov, G.N., Vagin, A.A., Dodson, E.J., Refinement of macromolecular structures by the maximum-likelihood method. Acta Crystallogr D Biol Crystallogr. 53 (1997), 240–255.
-
(1997)
Acta Crystallogr D Biol Crystallogr.
, vol.53
, pp. 240-255
-
-
Murshudov, G.N.1
Vagin, A.A.2
Dodson, E.J.3
-
55
-
-
77957222180
-
Rapid context-dependent ligand desolvation in molecular docking
-
Mysinger, M.M., Shoichet, B.K., Rapid context-dependent ligand desolvation in molecular docking. J. Chem. Inf. Model. 50 (2010), 1561–1573.
-
(2010)
J. Chem. Inf. Model.
, vol.50
, pp. 1561-1573
-
-
Mysinger, M.M.1
Shoichet, B.K.2
-
56
-
-
84864264343
-
Directory of useful decoys, enhanced (DUD-E): Better ligands and decoys for better benchmarking
-
Mysinger, M.M., Carchia, M., Irwin, J.J., Shoichet, B.K., Directory of useful decoys, enhanced (DUD-E): Better ligands and decoys for better benchmarking. J. Med. Chem. 55 (2012), 6582–6594.
-
(2012)
J. Med. Chem.
, vol.55
, pp. 6582-6594
-
-
Mysinger, M.M.1
Carchia, M.2
Irwin, J.J.3
Shoichet, B.K.4
-
57
-
-
84959353177
-
Psychedelics
-
Nichols, D.E., Psychedelics. Pharmacol. Rev. 68 (2016), 264–355.
-
(2016)
Pharmacol. Rev.
, vol.68
, pp. 264-355
-
-
Nichols, D.E.1
-
58
-
-
13344284627
-
Stereoselective pharmacological effects of lysergic acid amides possessing chirality in the amide substituent
-
Nichols, D.E., Monte, A., Huang, X., Marona-Lewicka, D., Stereoselective pharmacological effects of lysergic acid amides possessing chirality in the amide substituent. Behav. Brain Res. 73 (1996), 117–119.
-
(1996)
Behav. Brain Res.
, vol.73
, pp. 117-119
-
-
Nichols, D.E.1
Monte, A.2
Huang, X.3
Marona-Lewicka, D.4
-
59
-
-
0037068524
-
Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD)
-
Nichols, D.E., Frescas, S., Marona-Lewicka, D., Kurrasch-Orbaugh, D.M., Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). J. Med. Chem. 45 (2002), 4344–4349.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 4344-4349
-
-
Nichols, D.E.1
Frescas, S.2
Marona-Lewicka, D.3
Kurrasch-Orbaugh, D.M.4
-
60
-
-
0031059866
-
Processing of X-ray diffraction data collected in oscillation mode
-
Otwinowski, Z., Minor, W., Processing of X-ray diffraction data collected in oscillation mode. Methods Enzymol. 276 (1997), 307–326.
-
(1997)
Methods Enzymol.
, vol.276
, pp. 307-326
-
-
Otwinowski, Z.1
Minor, W.2
-
61
-
-
55849128573
-
The pharmacology of lysergic acid diethylamide: A review
-
Passie, T., Halpern, J.H., Stichtenoth, D.O., Emrich, H.M., Hintzen, A., The pharmacology of lysergic acid diethylamide: A review. CNS Neurosci. Ther. 14 (2008), 295–314.
-
(2008)
CNS Neurosci. Ther.
, vol.14
, pp. 295-314
-
-
Passie, T.1
Halpern, J.H.2
Stichtenoth, D.O.3
Emrich, H.M.4
Hintzen, A.5
-
62
-
-
84934441406
-
PROMALS3D: Multiple protein sequence alignment enhanced with evolutionary and three-dimensional structural information
-
Pei, J., Grishin, N.V., PROMALS3D: Multiple protein sequence alignment enhanced with evolutionary and three-dimensional structural information. Methods Mol. Biol. 1079 (2014), 263–271.
-
(2014)
Methods Mol. Biol.
, vol.1079
, pp. 263-271
-
-
Pei, J.1
Grishin, N.V.2
-
63
-
-
84910633308
-
A functional selectivity mechanism at the serotonin-2A GPCR involves ligand-dependent conformations of intracellular loop 2
-
Perez-Aguilar, J.M., Shan, J., LeVine, M.V., Khelashvili, G., Weinstein, H., A functional selectivity mechanism at the serotonin-2A GPCR involves ligand-dependent conformations of intracellular loop 2. J. Am. Chem. Soc. 136 (2014), 16044–16054.
-
(2014)
J. Am. Chem. Soc.
, vol.136
, pp. 16044-16054
-
-
Perez-Aguilar, J.M.1
Shan, J.2
LeVine, M.V.3
Khelashvili, G.4
Weinstein, H.5
-
64
-
-
84913603703
-
Insights into the role of Asp79(2.50) in β2 adrenergic receptor activation from molecular dynamics simulations
-
Ranganathan, A., Dror, R.O., Carlsson, J., Insights into the role of Asp79(2.50) in β2 adrenergic receptor activation from molecular dynamics simulations. Biochemistry 53 (2014), 7283–7296.
-
(2014)
Biochemistry
, vol.53
, pp. 7283-7296
-
-
Ranganathan, A.1
Dror, R.O.2
Carlsson, J.3
-
65
-
-
78651411166
-
Structure of a nanobody-stabilized active state of the β(2) adrenoceptor
-
Rasmussen, S.G., Choi, H.J., Fung, J.J., Pardon, E., Casarosa, P., Chae, P.S., Devree, B.T., Rosenbaum, D.M., Thian, F.S., Kobilka, T.S., et al. Structure of a nanobody-stabilized active state of the β(2) adrenoceptor. Nature 469 (2011), 175–180.
-
(2011)
Nature
, vol.469
, pp. 175-180
-
-
Rasmussen, S.G.1
Choi, H.J.2
Fung, J.J.3
Pardon, E.4
Casarosa, P.5
Chae, P.S.6
Devree, B.T.7
Rosenbaum, D.M.8
Thian, F.S.9
Kobilka, T.S.10
-
66
-
-
80051658642
-
Crystal structure of the β2 adrenergic receptor-Gs protein complex
-
Rasmussen, S.G., DeVree, B.T., Zou, Y., Kruse, A.C., Chung, K.Y., Kobilka, T.S., Thian, F.S., Chae, P.S., Pardon, E., Calinski, D., et al. Crystal structure of the β2 adrenergic receptor-Gs protein complex. Nature 477 (2011), 549–555.
-
(2011)
Nature
, vol.477
, pp. 549-555
-
-
Rasmussen, S.G.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
-
67
-
-
84880022273
-
PTRAJ and CPPTRAJ: Software for processing and analysis of molecular dynamics trajectory data
-
Roe, D.R., Cheatham, T.E. 3rd, PTRAJ and CPPTRAJ: Software for processing and analysis of molecular dynamics trajectory data. J. Chem. Theory Comput. 9 (2013), 3084–3095.
-
(2013)
J. Chem. Theory Comput.
, vol.9
, pp. 3084-3095
-
-
Roe, D.R.1
Cheatham, T.E.2
-
68
-
-
78651399683
-
Structure and function of an irreversible agonist-β(2) adrenoceptor complex
-
Rosenbaum, D.M., Zhang, C., Lyons, J.A., Holl, R., Aragao, D., Arlow, D.H., Rasmussen, S.G., Choi, H.J., Devree, B.T., Sunahara, R.K., et al. Structure and function of an irreversible agonist-β(2) adrenoceptor complex. Nature 469 (2011), 236–240.
-
(2011)
Nature
, vol.469
, pp. 236-240
-
-
Rosenbaum, D.M.1
Zhang, C.2
Lyons, J.A.3
Holl, R.4
Aragao, D.5
Arlow, D.H.6
Rasmussen, S.G.7
Choi, H.J.8
Devree, B.T.9
Sunahara, R.K.10
-
69
-
-
0037015067
-
Salvinorin A: A potent naturally occurring nonnitrogenous kappa opioid selective agonist
-
Roth, B.L., Baner, K., Westkaemper, R., Siebert, D., Rice, K.C., Steinberg, S., Ernsberger, P., Rothman, R.B., Salvinorin A: A potent naturally occurring nonnitrogenous kappa opioid selective agonist. Proc. Natl. Acad. Sci. USA 99 (2002), 11934–11939.
-
(2002)
Proc. Natl. Acad. Sci. USA
, vol.99
, pp. 11934-11939
-
-
Roth, B.L.1
Baner, K.2
Westkaemper, R.3
Siebert, D.4
Rice, K.C.5
Steinberg, S.6
Ernsberger, P.7
Rothman, R.B.8
-
70
-
-
39149100948
-
Stabilization of the human beta2-adrenergic receptor TM4-TM3-TM5 helix interface by mutagenesis of Glu122(3.41), a critical residue in GPCR structure
-
Roth, C.B., Hanson, M.A., Stevens, R.C., Stabilization of the human beta2-adrenergic receptor TM4-TM3-TM5 helix interface by mutagenesis of Glu122(3.41), a critical residue in GPCR structure. J. Mol. Biol. 376 (2008), 1305–1319.
-
(2008)
J. Mol. Biol.
, vol.376
, pp. 1305-1319
-
-
Roth, C.B.1
Hanson, M.A.2
Stevens, R.C.3
-
71
-
-
0028466540
-
Comparison of automatic three-dimensional model builders using 639 X-ray structures
-
Sadowski, J., Gasteiger, J., Klebe, G., Comparison of automatic three-dimensional model builders using 639 X-ray structures. J. Chem. Inf. Comput. Sci. 34 (1994), 1000–1008.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 1000-1008
-
-
Sadowski, J.1
Gasteiger, J.2
Klebe, G.3
-
72
-
-
84941261969
-
Acute effects of lysergic acid diethylamide in healthy subjects
-
Schmid, Y., Enzler, F., Gasser, P., Grouzmann, E., Preller, K.H., Vollenweider, F.X., Brenneisen, R., Müller, F., Borgwardt, S., Liechti, M.E., Acute effects of lysergic acid diethylamide in healthy subjects. Biol. Psychiatry 78 (2015), 544–553.
-
(2015)
Biol. Psychiatry
, vol.78
, pp. 544-553
-
-
Schmid, Y.1
Enzler, F.2
Gasser, P.3
Grouzmann, E.4
Preller, K.H.5
Vollenweider, F.X.6
Brenneisen, R.7
Müller, F.8
Borgwardt, S.9
Liechti, M.E.10
-
73
-
-
33745902205
-
Response of cluster headache to psilocybin and LSD
-
Sewell, R.A., Halpern, J.H., Pope, H.G. Jr., Response of cluster headache to psilocybin and LSD. Neurology 66 (2006), 1920–1922.
-
(2006)
Neurology
, vol.66
, pp. 1920-1922
-
-
Sewell, R.A.1
Halpern, J.H.2
Pope, H.G.3
-
74
-
-
0029068766
-
Polyelectrolyte electrostatics: Salt dependence, entropic, and enthalpic contributions to free energy in the nonlinear Poisson–Boltzmann model
-
Sharp, K.A., Polyelectrolyte electrostatics: Salt dependence, entropic, and enthalpic contributions to free energy in the nonlinear Poisson–Boltzmann model. Biopolymers 36 (1995), 227–243.
-
(1995)
Biopolymers
, vol.36
, pp. 227-243
-
-
Sharp, K.A.1
-
75
-
-
0001209293
-
Some serotoninlike activities of lysergic acid diethylamide
-
Shaw, E., Woolley, D.W., Some serotoninlike activities of lysergic acid diethylamide. Science 124 (1956), 121–122.
-
(1956)
Science
, vol.124
, pp. 121-122
-
-
Shaw, E.1
Woolley, D.W.2
-
76
-
-
79960070651
-
Structure of the human histamine H1 receptor complex with doxepin
-
Shimamura, T., Shiroishi, M., Weyand, S., Tsujimoto, H., Winter, G., Katritch, V., Abagyan, R., Cherezov, V., Liu, W., Han, G.W., et al. Structure of the human histamine H1 receptor complex with doxepin. Nature 475 (2011), 65–70.
-
(2011)
Nature
, vol.475
, pp. 65-70
-
-
Shimamura, T.1
Shiroishi, M.2
Weyand, S.3
Tsujimoto, H.4
Winter, G.5
Katritch, V.6
Abagyan, R.7
Cherezov, V.8
Liu, W.9
Han, G.W.10
-
77
-
-
84976865494
-
The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: Towards curated quantitative interactions between 1300 protein targets and 6000 ligands
-
Southan, C., Sharman, J.L., Benson, H.E., Faccenda, E., Pawson, A.J., Alexander, S.P., Buneman, O.P., Davenport, A.P., McGrath, J.C., Peters, J.A., et al., NC-IUPHAR. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: Towards curated quantitative interactions between 1300 protein targets and 6000 ligands. Nucleic Acids Res. 44:D1 (2016), D1054–D1068.
-
(2016)
Nucleic Acids Res.
, vol.44
, Issue.D1
, pp. D1054-D1068
-
-
Southan, C.1
Sharman, J.L.2
Benson, H.E.3
Faccenda, E.4
Pawson, A.J.5
Alexander, S.P.6
Buneman, O.P.7
Davenport, A.P.8
McGrath, J.C.9
Peters, J.A.10
-
78
-
-
0006190976
-
Amide Der Stereoisomeren Lysergsauren Und Dihydro-Lysergsauren 0.38. Mitteilung Uber Mutterkornalkaloide
-
Stoll, A., Hofmann, A., Amide Der Stereoisomeren Lysergsauren Und Dihydro-Lysergsauren 0.38. Mitteilung Uber Mutterkornalkaloide. Helv. Chim. Acta 38 (1955), 421–433.
-
(1955)
Helv. Chim. Acta
, vol.38
, pp. 421-433
-
-
Stoll, A.1
Hofmann, A.2
-
79
-
-
0023882042
-
Radioligand binding evidence implicates the brain 5-HT2 receptor as a site of action for LSD and phenylisopropylamine hallucinogens
-
Titeler, M., Lyon, R.A., Glennon, R.A., Radioligand binding evidence implicates the brain 5-HT2 receptor as a site of action for LSD and phenylisopropylamine hallucinogens. Psychopharmacology (Berl.) 94 (1988), 213–216.
-
(1988)
Psychopharmacology (Berl.)
, vol.94
, pp. 213-216
-
-
Titeler, M.1
Lyon, R.A.2
Glennon, R.A.3
-
80
-
-
33845903110
-
Functional selectivity and classical concepts of quantitative pharmacology
-
Urban, J.D., Clarke, W.P., von Zastrow, M., Nichols, D.E., Kobilka, B., Weinstein, H., Javitch, J.A., Roth, B.L., Christopoulos, A., Sexton, P.M., et al. Functional selectivity and classical concepts of quantitative pharmacology. J. Pharmacol. Exp. Ther. 320 (2007), 1–13.
-
(2007)
J. Pharmacol. Exp. Ther.
, vol.320
, pp. 1-13
-
-
Urban, J.D.1
Clarke, W.P.2
von Zastrow, M.3
Nichols, D.E.4
Kobilka, B.5
Weinstein, H.6
Javitch, J.A.7
Roth, B.L.8
Christopoulos, A.9
Sexton, P.M.10
-
81
-
-
25444474047
-
A sensitive method for the assay of 5-hydroxytryptamine
-
Vane, J.R., A sensitive method for the assay of 5-hydroxytryptamine. Br. Pharmacol. Chemother. 12 (1957), 344–349.
-
(1957)
Br. Pharmacol. Chemother.
, vol.12
, pp. 344-349
-
-
Vane, J.R.1
-
82
-
-
84871545594
-
Automation of the CHARMM General Force Field (CGenFF) I: Bond perception and atom typing
-
Vanommeslaeghe, K., MacKerell, A.D. Jr., Automation of the CHARMM General Force Field (CGenFF) I: Bond perception and atom typing. J. Chem. Inf. Model. 52 (2012), 3144–3154.
-
(2012)
J. Chem. Inf. Model.
, vol.52
, pp. 3144-3154
-
-
Vanommeslaeghe, K.1
MacKerell, A.D.2
-
83
-
-
76249087938
-
CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields
-
Vanommeslaeghe, K., Hatcher, E., Acharya, C., Kundu, S., Zhong, S., Shim, J., Darian, E., Guvench, O., Lopes, P., Vorobyov, I., Mackerell, A.D. Jr., CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields. J. Comput. Chem. 31 (2010), 671–690.
-
(2010)
J. Comput. Chem.
, vol.31
, pp. 671-690
-
-
Vanommeslaeghe, K.1
Hatcher, E.2
Acharya, C.3
Kundu, S.4
Zhong, S.5
Shim, J.6
Darian, E.7
Guvench, O.8
Lopes, P.9
Vorobyov, I.10
Mackerell, A.D.11
-
84
-
-
84871544678
-
Automation of the CHARMM General Force Field (CGenFF) II: Assignment of bonded parameters and partial atomic charges
-
Vanommeslaeghe, K., Raman, E.P., MacKerell, A.D. Jr., Automation of the CHARMM General Force Field (CGenFF) II: Assignment of bonded parameters and partial atomic charges. J. Chem. Inf. Model. 52 (2012), 3155–3168.
-
(2012)
J. Chem. Inf. Model.
, vol.52
, pp. 3155-3168
-
-
Vanommeslaeghe, K.1
Raman, E.P.2
MacKerell, A.D.3
-
85
-
-
0027426111
-
Dopamine D2-receptor imaging with 123I-iodobenzamide SPECT in migraine patients abusing ergotamine: Does ergotamine cross the blood brain barrier?
-
Verhoeff, N.P., Visser, W.H., Ferrari, M.D., Saxena, P.R., van Royen, E.A., Dopamine D2-receptor imaging with 123I-iodobenzamide SPECT in migraine patients abusing ergotamine: Does ergotamine cross the blood brain barrier?. Cephalalgia 13 (1993), 325–329.
-
(1993)
Cephalalgia
, vol.13
, pp. 325-329
-
-
Verhoeff, N.P.1
Visser, W.H.2
Ferrari, M.D.3
Saxena, P.R.4
van Royen, E.A.5
-
86
-
-
34447649922
-
Beta-arrestin-biased ligands at seven-transmembrane receptors
-
Violin, J.D., Lefkowitz, R.J., Beta-arrestin-biased ligands at seven-transmembrane receptors. Trends Pharmacol. Sci. 28 (2007), 416–422.
-
(2007)
Trends Pharmacol. Sci.
, vol.28
, pp. 416-422
-
-
Violin, J.D.1
Lefkowitz, R.J.2
-
87
-
-
77955779227
-
Conserved binding mode of human beta2 adrenergic receptor inverse agonists and antagonist revealed by X-ray crystallography
-
Wacker, D., Fenalti, G., Brown, M.A., Katritch, V., Abagyan, R., Cherezov, V., Stevens, R.C., Conserved binding mode of human beta2 adrenergic receptor inverse agonists and antagonist revealed by X-ray crystallography. J. Am. Chem. Soc. 132 (2010), 11443–11445.
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 11443-11445
-
-
Wacker, D.1
Fenalti, G.2
Brown, M.A.3
Katritch, V.4
Abagyan, R.5
Cherezov, V.6
Stevens, R.C.7
-
88
-
-
84877631485
-
Structural features for functional selectivity at serotonin receptors
-
Wacker, D., Wang, C., Katritch, V., Han, G.W., Huang, X.P., Vardy, E., McCorvy, J.D., Jiang, Y., Chu, M., Siu, F.Y., et al. Structural features for functional selectivity at serotonin receptors. Science 340 (2013), 615–619.
-
(2013)
Science
, vol.340
, pp. 615-619
-
-
Wacker, D.1
Wang, C.2
Katritch, V.3
Han, G.W.4
Huang, X.P.5
Vardy, E.6
McCorvy, J.D.7
Jiang, Y.8
Chu, M.9
Siu, F.Y.10
-
89
-
-
84877607189
-
Structural basis for molecular recognition at serotonin receptors
-
Wang, C., Jiang, Y., Ma, J., Wu, H., Wacker, D., Katritch, V., Han, G.W., Liu, W., Huang, X.P., Vardy, E., et al. Structural basis for molecular recognition at serotonin receptors. Science 340 (2013), 610–614.
-
(2013)
Science
, vol.340
, pp. 610-614
-
-
Wang, C.1
Jiang, Y.2
Ma, J.3
Wu, H.4
Wacker, D.5
Katritch, V.6
Han, G.W.7
Liu, W.8
Huang, X.P.9
Vardy, E.10
-
90
-
-
84949215654
-
Comparative Protein Structure Modeling Using MODELLER
-
5 6 1-5 6 32
-
Webb, B., Sali, A., Comparative Protein Structure Modeling Using MODELLER. Current protocols in bioinformatics / editoral board, Andreas D Baxevanis [et al], 47, 2014 5 6 1-5 6 32.
-
(2014)
Current protocols in bioinformatics / editoral board, Andreas D Baxevanis [et al]
, vol.47
-
-
Webb, B.1
Sali, A.2
-
91
-
-
0000358118
-
A biochemical and pharmacological suggestion about certain mental disorders
-
Woolley, D.W., Shaw, E., A biochemical and pharmacological suggestion about certain mental disorders. Proc. Natl. Acad. Sci. USA 40 (1954), 228–231.
-
(1954)
Proc. Natl. Acad. Sci. USA
, vol.40
, pp. 228-231
-
-
Woolley, D.W.1
Shaw, E.2
-
92
-
-
84975229526
-
The extracellular surface of the GLP-1 receptor is a molecular trigger for biased agonism
-
Wootten, D., Reynolds, C.A., Smith, K.J., Mobarec, J.C., Koole, C., Savage, E.E., Pabreja, K., Simms, J., Sridhar, R., Furness, S.G., et al. The extracellular surface of the GLP-1 receptor is a molecular trigger for biased agonism. Cell 165 (2016), 1632–1643.
-
(2016)
Cell
, vol.165
, pp. 1632-1643
-
-
Wootten, D.1
Reynolds, C.A.2
Smith, K.J.3
Mobarec, J.C.4
Koole, C.5
Savage, E.E.6
Pabreja, K.7
Simms, J.8
Sridhar, R.9
Furness, S.G.10
-
93
-
-
0033614004
-
Asparagine and glutamine: Using hydrogen atom contacts in the choice of side-chain amide orientation
-
Word, J.M., Lovell, S.C., Richardson, J.S., Richardson, D.C., Asparagine and glutamine: Using hydrogen atom contacts in the choice of side-chain amide orientation. J. Mol. Biol. 285 (1999), 1735–1747.
-
(1999)
J. Mol. Biol.
, vol.285
, pp. 1735-1747
-
-
Word, J.M.1
Lovell, S.C.2
Richardson, J.S.3
Richardson, D.C.4
-
94
-
-
0029937870
-
Hydrophilicity of cavities in proteins
-
Zhang, L., Hermans, J., Hydrophilicity of cavities in proteins. Proteins 24 (1996), 433–438.
-
(1996)
Proteins
, vol.24
, pp. 433-438
-
-
Zhang, L.1
Hermans, J.2
|