-
1
-
-
0030472350
-
International Union of Pharmacology. XII. Classification of Opioid Receptors
-
Dhawan, B.N., Cesselin, E, Raghubir, R., Reisine, T., Bradley, P.B., Portoghese, P.S. and Hamon, M. (1996) International Union of Pharmacology. XII. Classification of Opioid Receptors. Pharm. 48, 567-592.
-
(1996)
Pharm.
, vol.48
, pp. 567-592
-
-
Dhawan, B.N.1
Cesselin, E.2
Raghubir, R.3
Reisine, T.4
Bradley, P.B.5
Portoghese, P.S.6
Hamon, M.7
-
2
-
-
0029024284
-
Proliferative Effects of δ-Opioids on Highly Purified Murme CD4+ and CDS+ T-Cells
-
(a) Shahabi, N.A. and Sharp, B.M. (1995) Proliferative Effects of δ-Opioids on Highly Purified Murme CD4+ and CDS+ T-Cells. J. Pharmacol. Exp. Ther. 273, 1105-1113.
-
(1995)
J. Pharmacol. Exp. Ther.
, vol.273
, pp. 1105-1113
-
-
Shahabi, N.A.1
Sharp, B.M.2
-
3
-
-
0029743042
-
Dual Signal Transduction Through Delta Opioid Receptors in a Transfected Human T-Cell Line
-
(b) Sharp, B.M., Shahabi, N.A., Heagy, W., McAllen, K., Bell, M., Huntoon, C. and McKean, D.J. (1996) Dual Signal Transduction Through Delta Opioid Receptors in a Transfected Human T-Cell Line. Proc. Natl. Acad. Sa. USA 93, 8294-8299.
-
(1996)
Proc. Natl. Acad. Sa. USA
, vol.93
, pp. 8294-8299
-
-
Sharp, B.M.1
Shahabi, N.A.2
Heagy, W.3
McAllen, K.4
Bell, M.5
Huntoon, C.6
McKean, D.J.7
-
4
-
-
0027882469
-
Influence of Selective Opiate Antagonists on Striatial Acetylcholine and Dopamine Release
-
(c) Lendvai, B., Sandor, N.T. and Sandor, A. (1993) Influence of Selective Opiate Antagonists on Striatial Acetylcholine and Dopamine Release. Acta Physiol. Hung. 81, 19-28.
-
(1993)
Acta Physiol. Hung.
, vol.81
, pp. 19-28
-
-
Lendvai, B.1
Sandor, N.T.2
Sandor, A.3
-
5
-
-
0030873187
-
The Role of δ-Opioid Receptors in the Discriminative Stimulus Properties of a Low Dose of Methamphetamme
-
and references cited therein
-
(d) Suzuki, T., Mori, T., Tsuji, M., Misawa, M. and Nagase, H. (1997) The Role of δ-Opioid Receptors in the Discriminative Stimulus Properties of a Low Dose of Methamphetamme. Eur. J. Pharmacol. 331, 1-8, and references cited therein.
-
(1997)
Eur. J. Pharmacol.
, vol.331
, pp. 1-8
-
-
Suzuki, T.1
Mori, T.2
Tsuji, M.3
Misawa, M.4
Nagase, H.5
-
7
-
-
0028972805
-
Properties of TAN-67, a nonpeptidic delta-opioid receptor agonist, at cloned human delta- and mu-opioid receptors
-
Knapp, R.J., Landsman, R., Waste, S, Malatyaska, E, Varga, E, Haq, W., Hruby, V.J., Roeske, W.R., Nagase, H., Yamamura, H.I. (1995) Properties of TAN-67, a nonpeptidic delta-opioid receptor agonist, at cloned human delta- and mu-opioid receptors. Eur. J. Pharmacol. 291(2), 129-134.
-
(1995)
Eur. J. Pharmacol.
, vol.291
, Issue.2
, pp. 129-134
-
-
Knapp, R.J.1
Landsman, R.2
Waste, S.3
Malatyaska, E.4
Varga, E.5
Haq, W.6
Hruby, V.J.7
Roeske, W.R.8
Nagase, H.9
Yamamura, H.I.10
-
8
-
-
19244379844
-
Probes for narcotic receptor mediated phenomena. 19. Synthesis of (+)-4-[(alpha R)-alpha-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl]-N,N- diethylberizarmde (SNC 80): A highly selective, nonpeptide delta opioid receptor agonist
-
Calderon, S.N., Rothman, R.B., Porreca, E, Flippen-Anderson, J.L., McNutt, R.W., Xu, H., Smith, L.E., Bilsky, E.J., Davis, P., Rice, K.C. (1994) Probes for narcotic receptor mediated phenomena. 19. Synthesis of (+)-4-[(alpha R)-alpha-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl]-N,N- diethylberizarmde (SNC 80): a highly selective, nonpeptide delta opioid receptor agonist. J. Med. Chem. 37(14), 2125-2128.
-
(1994)
J. Med. Chem.
, vol.37
, Issue.14
, pp. 2125-2128
-
-
Calderon, S.N.1
Rothman, R.B.2
Porreca, E.3
Flippen-Anderson, J.L.4
McNutt, R.W.5
Xu, H.6
Smith, L.E.7
Bilsky, E.J.8
Davis, P.9
Rice, K.C.10
-
9
-
-
0027385389
-
A novel, potent and selective nonpeptidic delta opioid receptor agonist BW373US6
-
Chang, K.J., Rigdon, G.G., Howard, J.L., McNutt, R.W. (1993) A novel, potent and selective nonpeptidic delta opioid receptor agonist BW373US6. J. Pharmacol Exp. Ther. 267(2), 852-857.
-
(1993)
J. Pharmacol Exp. Ther.
, vol.267
, Issue.2
, pp. 852-857
-
-
Chang, K.J.1
Rigdon, G.G.2
Howard, J.L.3
McNutt, R.W.4
-
10
-
-
6744224287
-
-
WO9933806
-
Carson, J.R., Carmosin, R.J., Fitzpatrick, L.J., Reitz, A.B. and Jetter, M.C. (1998) Use of 4-Aminobenzamide Derivatives as δ-Opioid Receptor Ligands - for the Treatment of Pain, Mental Illness, Drug and Alcohol Abuse, Gastric Diarrhea, and Respiratory Disorders. WO9933806.
-
(1998)
Use of 4-Aminobenzamide Derivatives As δ-Opioid Receptor Ligands - for the Treatment of Pain, Mental Illness, Drug and Alcohol Abuse, Gastric Diarrhea, and Respiratory Disorders
-
-
Carson, J.R.1
Carmosin, R.J.2
Fitzpatrick, L.J.3
Reitz, A.B.4
Jetter, M.C.5
-
13
-
-
0031565726
-
An alpha-carbon template for the transmembrane helices in the rhodopsin family of G-protein-coupled receptors
-
Baldwin, J.M., Schertler, G.F. and Unger, V.M. (1997) An alpha-carbon template for the transmembrane helices in the rhodopsin family of G-protein-coupled receptors. J. Mol. Biol. 272, 144-164.
-
(1997)
J. Mol. Biol.
, vol.272
, pp. 144-164
-
-
Baldwin, J.M.1
Schertler, G.F.2
Unger, V.M.3
-
14
-
-
0032581639
-
G-Protein coupled receptors: Models, mutagenesis, and drug design
-
Bikker, J.A., Trumpp-Kallmeyer and S., Humblet, C. (1998) G-Protein coupled receptors: models, mutagenesis, and drug design. J. Med. Chem. 41, 2911-2927.
-
(1998)
J. Med. Chem.
, vol.41
, pp. 2911-2927
-
-
Bikker, J.A.1
Trumpp-Kallmeyer, Su.2
Humblet, C.3
-
15
-
-
0029994263
-
Application of the message-address concept to the docking of naltrexone and selective naltrexone-denved opioid antagonists into opioid receptor models
-
Metzger, T.G., Paterlini, M.G., Portoghese, P.S. and Ferguson, D.M. (1996) Application of the message-address concept to the docking of naltrexone and selective naltrexone-denved opioid antagonists into opioid receptor models. Neurochem. Res. 21, 1287-1294.
-
(1996)
Neurochem. Res.
, vol.21
, pp. 1287-1294
-
-
Metzger, T.G.1
Paterlini, M.G.2
Portoghese, P.S.3
Ferguson, D.M.4
-
16
-
-
0032481059
-
Mutational evidence for a common kappa antagonist binding pocket in the wild-type kappa and mutant mu[K303E] opioid receptors
-
Jones, R.M., Hjorth, S.A., Schwartz, T.W. and Portoghese, P.S. (1998) Mutational evidence for a common kappa antagonist binding pocket in the wild-type kappa and mutant mu[K303E] opioid receptors. J. Med. Chem. 41, 4911-4914.
-
(1998)
J. Med. Chem.
, vol.41
, pp. 4911-4914
-
-
Jones, R.M.1
Hjorth, S.A.2
Schwartz, T.W.3
Portoghese, P.S.4
-
17
-
-
10144241052
-
Involvement of Trp-284, Val-296, and Val-297 of the human delta-opioid receptor in binding of delta-selective ligands
-
Valiquette, M., Vu, H.K., Yue, S.Y., Wahlestedt, C. and Walker, P. (1996) Involvement of Trp-284, Val-296, and Val-297 of the human delta-opioid receptor in binding of delta-selective ligands. J. Biol. Chem. 271, 18789-18796.
-
(1996)
J. Biol. Chem.
, vol.271
, pp. 18789-18796
-
-
Valiquette, M.1
Vu, H.K.2
Yue, S.Y.3
Wahlestedt, C.4
Walker, P.5
-
18
-
-
0024491426
-
Recent advances in comparative molecular field analysis (CoMFA).
-
Cramer III, R.D., Patterson, D.E and Bunce, J.D. Recent advances in comparative molecular field analysis (CoMFA). (1989) Prog. Clin. Biol. Res. 291, 161-165.
-
(1989)
Prog. Clin. Biol. Res.
, vol.291
, pp. 161-165
-
-
Cramer III, R.D.1
Patterson, D.E.2
Bunce, J.D.3
-
19
-
-
12644272787
-
Structure-activity relationships for SNC80 and related compounds at cloned human delta and mu opioid receptors
-
Knapp, R.J., Santoro, G., De Leon, I.A., Lee, K.B., Edsall, S.A., Waite, S., Malatynska, E., Varga, E., Calderon, S.N., Rice, K.C., Rothman, R.B., Porreca, F., Roeske, W.R. and Yamamura H.I. (1996) Structure-activity relationships for SNC80 and related compounds at cloned human delta and mu opioid receptors. J. Pharmacol. Exp. Ther. 277, 1284-1291.
-
(1996)
J. Pharmacol. Exp. Ther.
, vol.277
, pp. 1284-1291
-
-
Knapp, R.J.1
Santoro, G.2
De Leon, I.A.3
Lee, K.B.4
Edsall, S.A.5
Waite, S.6
Malatynska, E.7
Varga, E.8
Calderon, S.N.9
Rice, K.C.10
Rothman, R.B.11
Porreca, F.12
Roeske, W.R.13
Yamamura, H.I.14
-
20
-
-
0009508182
-
Centrally Acting Analgesics
-
Reitz, A.B., Jetter, M.C., Wild, K.D., Raffa, R.B. (1995) Centrally Acting Analgesics. Annu. Repts. Med. Chem. 30, 11-20.
-
(1995)
Annu. Repts. Med. Chem.
, vol.30
, pp. 11-20
-
-
Reitz, A.B.1
Jetter, M.C.2
Wild, K.D.3
Raffa, R.B.4
-
21
-
-
0000844109
-
Reductive Amination of Aldehydes and Ketones with Sodium Triacetoxyborohydnde. Studies on Direct and Indirect Reductive Amination Procedures
-
Abdel-Magid, A., Carson, K. G., Harris, B. D., Maryanoff, C. A. and Shah, R. D. (1996) Reductive Amination of Aldehydes and Ketones with Sodium Triacetoxyborohydnde. Studies on Direct and Indirect Reductive Amination Procedures. J. Org Chem. 61, 3849.
-
(1996)
J. Org Chem.
, vol.61
, pp. 3849
-
-
Abdel-Magid, A.1
Carson, K.G.2
Harris, B.D.3
Maryanoff, C.A.4
Shah, R.D.5
-
22
-
-
0008165462
-
Palladium-Catalyzed Aminarion of Aryl Halides and Sulfonates
-
Yang, B.H. and Buchwald, S.L. (1999) Palladium-Catalyzed Aminarion of Aryl Halides and Sulfonates. J. Organomet. Chem. 576, 125-146.
-
(1999)
J. Organomet. Chem.
, vol.576
, pp. 125-146
-
-
Yang, B.H.1
Buchwald, S.L.2
-
23
-
-
6744262197
-
-
Tripos, Inc., 1699 S. Hanley Road, Suite 303, St. Louis, MO 63144-2913, Sybyl 6.4, 1997
-
Tripos, Inc., 1699 S. Hanley Road, Suite 303, St. Louis, MO 63144-2913, Sybyl 6.4, 1997.
-
-
-
-
24
-
-
0000939786
-
Charge distribution from molecular topology and orbital electronegativity
-
Marsili, M. and Gasteiger, J. (1981) Charge distribution from molecular topology and orbital electronegativity. Croat. Chem. Arta 53, 601-614.
-
(1981)
Croat. Chem. Arta
, vol.53
, pp. 601-614
-
-
Marsili, M.1
Gasteiger, J.2
-
25
-
-
49149147973
-
Iterative partial equalization of orbital electronegativity: A rapid access to atomic charges
-
Gasteiger, J. and Marsili, M. (1980) Iterative partial equalization of orbital electronegativity: a rapid access to atomic charges. Tetrahedron 36, 3219-3222.
-
(1980)
Tetrahedron
, vol.36
, pp. 3219-3222
-
-
Gasteiger, J.1
Marsili, M.2
-
26
-
-
84986870156
-
Prediction of proton magnetic resonance shifts: The dependence on hydrogen charges obtained by iterative partial equalization of orbital electronegativity
-
Gasteiger, J. and Marsili, M. (1981) Prediction of proton magnetic resonance shifts: the dependence on hydrogen charges obtained by iterative partial equalization of orbital electronegativity. Organ. Magn. Reson. 15, 353-360.
-
(1981)
Organ. Magn. Reson.
, vol.15
, pp. 353-360
-
-
Gasteiger, J.1
Marsili, M.2
-
28
-
-
33751578897
-
A brief review and table of semiempiricai parameters used in the Hückel molecular orbital method
-
Purcel, W.P. and Singer, J.A. (1967) A brief review and table of semiempiricai parameters used in the Hückel molecular orbital method. J. Chem. Eng. Data 12, 235-246.
-
(1967)
J. Chem. Eng. Data
, vol.12
, pp. 235-246
-
-
Purcel, W.P.1
Singer, J.A.2
-
29
-
-
84988115618
-
Validation of the general purpose Tripos 5.2 force field
-
Clark, M., Cramer III, R.D. and Van Opdenbosch, N. (1989) Validation of the general purpose Tripos 5.2 force field. J. Comp. Chem. 10, 982-1012.
-
(1989)
J. Comp. Chem.
, vol.10
, pp. 982-1012
-
-
Clark, M.1
Cramer III, R.D.2
Van Opdenbosch, N.3
-
31
-
-
0842341771
-
The development and use of quantum-mechanical molecular-models. 76. AM1 - A new general-purpose quantum-mechanical molecular-model
-
Dewar, M.J.S., Zoebisch, E.G., Healy, E.F. and Stewart, J.J.P. (1985) The development and use of quantum-mechanical molecular-models. 76. AM1 - A new general-purpose quantum-mechanical molecular-model. J. Am. Chem. Soc. 107, 3902-3909.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3902-3909
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.F.3
Stewart, J.J.P.4
-
32
-
-
0000460468
-
The conformational parameter in drug design: The active analog approach
-
Olson, E. C., Christofferson, R. E., Eds., ACS Symposium Series, Washington, D.C.
-
(a) Marshall, G.R., Barry, C.D., Bosshard, H.E., Dammkoehler, R.A. and Dunn, D.A. (1979) The conformational parameter in drug design: the active analog approach. In Computer Assisted Drug Design, Olson, E. C., Christofferson, R. E., Eds., ACS Symposium Series, Washington, D.C., 112, 205-226.
-
(1979)
Computer Assisted Drug Design
, vol.112
, pp. 205-226
-
-
Marshall, G.R.1
Barry, C.D.2
Bosshard, H.E.3
Dammkoehler, R.A.4
Dunn, D.A.5
-
33
-
-
0023326161
-
A unique geometry of the active site of angiotensin-converting enzyme consistent with structure-activity studies
-
(b) Mayer, D., Naylor, C.B., Motoc, I. and Marshall, G.R. (1987) A unique geometry of the active site of angiotensin-converting enzyme consistent with structure-activity studies J. Comp.-Aided Mol. Design 1, 3-16.
-
(1987)
J. Comp.-Aided Mol. Design
, vol.1
, pp. 3-16
-
-
Mayer, D.1
Naylor, C.B.2
Motoc, I.3
Marshall, G.R.4
-
34
-
-
0026292147
-
HINT: A New Method for Empirical Hydrophobic Field Calculation for CoMFA
-
Kellogg, G.E., Semus, S.F. and Abraham, D.J. (1991) HINT: A New Method for Empirical Hydrophobic Field Calculation for CoMFA. J. Comp.-Aided Design 5, 545.
-
(1991)
J. Comp.-Aided Design
, vol.5
, pp. 545
-
-
Kellogg, G.E.1
Semus, S.F.2
Abraham, D.J.3
-
35
-
-
6744226264
-
-
Edusoft, LC, PO Box 1811, Ashland, VA 23005, USA
-
Edusoft, LC, PO Box 1811, Ashland, VA 23005, USA.
-
-
-
-
36
-
-
0023751431
-
Comparative molecular-field analysis (COMFA). 1. Effect of shape on binding of steroids to carrier proteins
-
(a) Cramer III, R.D., Patterson, D.E. and Bunce, J.D. (1988) Comparative molecular-field analysis (COMFA). 1. Effect of shape on binding of steroids to carrier proteins. J. Amer. Chem. Soc. 110, 5959-5967.
-
(1988)
J. Amer. Chem. Soc.
, vol.110
, pp. 5959-5967
-
-
Cramer III, R.D.1
Patterson, D.E.2
Bunce, J.D.3
-
38
-
-
0025167207
-
Synthetic and computer-assisted analyses of the pharmacophore for the benzodiazepine receptor inverse agonist site
-
Allen, M.S., Yan, Y.C., Trudell, M.L., Narayanan, K., Schimdler, L.R., Martin, M.J., Schultz, C., Hagen, T.J., Koehler, K.F., Codding, P.W, Skolnick, P. and Cook, J.M. (1990) Synthetic and computer-assisted analyses of the pharmacophore for the benzodiazepine receptor inverse agonist site. J. Med. Chem. 33, 2343-2357.
-
(1990)
J. Med. Chem.
, vol.33
, pp. 2343-2357
-
-
Allen, M.S.1
Yan, Y.C.2
Trudell, M.L.3
Narayanan, K.4
Schimdler, L.R.5
Martin, M.J.6
Schultz, C.7
Hagen, T.J.8
Koehler, K.F.9
Codding, P.W.10
Skolnick, P.11
Cook, J.M.12
-
39
-
-
0027672324
-
Sample-distance Partial Least Squares: PLS optimized for Many Variables, with application to CoMFA
-
Bush, B.L. and Nachbar, R.B., Jr. (1993) Sample-distance Partial Least Squares: PLS optimized for Many Variables, with application to CoMFA. Journal of Comp-Aided Design 7, 587-619.
-
(1993)
Journal of Comp-Aided Design
, vol.7
, pp. 587-619
-
-
Bush, B.L.1
Nachbar Jr., R.B.2
-
40
-
-
0021733924
-
Multivariate Structure-Activity Relationships between Data from a Battery of Biological Tests and an Ensemble of Structure Descriptors: The PLS Method
-
Dunn, W.J., Wold, S., Edlund, U. and Hellberg, S. (1984) Multivariate Structure-Activity Relationships Between Data from a Battery of Biological Tests and an Ensemble of Structure Descriptors: The PLS Method. Quant. Struct.-Act. Relat. 3, 131-137.
-
(1984)
Quant. Struct.-Act. Relat.
, vol.3
, pp. 131-137
-
-
Dunn, W.J.1
Wold, S.2
Edlund, U.3
Hellberg, S.4
-
41
-
-
0004300892
-
-
Department of Pharmaceutical Chemistry, University of California: San Francisco, CA
-
Pearlman, D.A., Case, D.A., Caldwell, J.W., Ross, W.S., Cheatham III, T.E., Ferguson, D.M., Seibel, G.L., Singh, U.C., Weiner, P.K. and Kollman, P.A. (1995) AMBER (version 4.1), Department of Pharmaceutical Chemistry, University of California: San Francisco, CA.
-
(1995)
AMBER (Version 4.1)
-
-
Pearlman, D.A.1
Case, D.A.2
Caldwell, J.W.3
Ross, W.S.4
Cheatham III, T.E.5
Ferguson, D.M.6
Seibel, G.L.7
Singh, U.C.8
Weiner, P.K.9
Kollman, P.A.10
-
42
-
-
7844249248
-
Conformational analysis and automated receptor docking of selective arylacetamide-based kappa-opioid agonists
-
Subramanian, G., Paterlini, M.G., Larson, D.L., Portoghese, P.S and Ferguson, D.M (1998) Conformational analysis and automated receptor docking of selective arylacetamide-based kappa-opioid agonists. J. Med. Chem. 41, 4777-4789.
-
(1998)
J. Med. Chem.
, vol.41
, pp. 4777-4789
-
-
Subramanian, G.1
Paterlini, M.G.2
Larson, D.L.3
Portoghese, P.S.4
Ferguson, D.M.5
-
43
-
-
0030769046
-
Molecular simulation of dynorphm A-(1-10) binding to extracellular loop 2 of the kappa-opioid receptor. A model for receptor activation
-
Paterlini, G., Portoghese, P.S. and Ferguson, D.M. (1997) Molecular simulation of dynorphm A-(1-10) binding to extracellular loop 2 of the kappa-opioid receptor. A model for receptor activation. J. Med. Chem. 40, 3254-3262.
-
(1997)
J. Med. Chem.
, vol.40
, pp. 3254-3262
-
-
Paterlini, G.1
Portoghese, P.S.2
Ferguson, D.M.3
-
44
-
-
0029011701
-
A second generation force field for the simulation of proteins and nucleic acids
-
Cornell, W.D., Cieplak, P., Bayly, C.I., Gould, I.R., Merz, K.M., Jr., Ferguson, D.M., Spellmeyer, D.C., Fox, T., Caldwell, J.W. and Kollman, P.A (1995) A second generation force field for the simulation of proteins and nucleic acids. J. Am. Chem. Soc. 117, 5179-5197.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 5179-5197
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz Jr., K.M.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
45
-
-
3042524904
-
A Well-behaved electrostatic potential based method using charge restraints for determining atom-centered charges: The RESP model
-
Bayly, C.I., Cieplak, P., Cornell, W.D. and Kollman, P.A. (1993) A Well-behaved electrostatic potential based method using charge restraints for determining atom-centered charges: the RESP model. J. Phys. Chem. 97, 10269-10280.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 10269-10280
-
-
Bayly, C.I.1
Cieplak, P.2
Cornell, W.D.3
Kollman, P.A.4
-
46
-
-
84986516411
-
Application of the muitimolecule and multiconformational RESP methodology to Biopolymers: Charge derivation for DNA, RNA, and Proteins
-
Cieplak, P., Cornell, W.D., Bayly, C. and Kollman, P.A. (1995) Application of the muitimolecule and multiconformational RESP methodology to Biopolymers: charge derivation for DNA, RNA, and Proteins. J. Comp. Chem. 16, 1357-1377.
-
(1995)
J. Comp. Chem.
, vol.16
, pp. 1357-1377
-
-
Cieplak, P.1
Cornell, W.D.2
Bayly, C.3
Kollman, P.A.4
-
47
-
-
26444479778
-
Optimization by simulated annealing
-
Kirkpatrick, S., Gelatt, C.D., Jr. and Vecchi, M.P. (1983) Optimization by simulated annealing. Science 220, 671-680.
-
(1983)
Science
, vol.220
, pp. 671-680
-
-
Kirkpatrick, S.1
Gelatt Jr., C.D.2
Vecchi, M.P.3
-
48
-
-
0003699451
-
-
October 1995. San Diego: Biosvm/MSI
-
Insight II User Guide, October 1995. San Diego: Biosvm/MSI, 1995.
-
(1995)
Insight II User Guide
-
-
-
49
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh PA
-
Frisch, M.J., Trucks, G.W., Schlegel, H.B., Gill, P.M.W., Johnson, B.G., Robb, M.A., Cheeseman, J.R., Keith, T., Petersson, G.A., Montgomery, J.A., Raghavachari, K. Al-Laham, M.A., Zakrzewski, V.G., Ortiz, J.V., Foresman, J.B., Cioslowski, J., Stefanov, B.B., Nanayakkara, A., Challacombe, M., Peng, C.Y., Ayala, P.Y., Chen, W., Wong, M.W., Andres, J.L., Replogle, E.S., Gomperts, R., Martin, R.L., Fox, D.J., Binkley, J.S., Defrees, D.J., Baker, J., Stewart, J.J.P., Head-Gordon, M., Gonzalez, C., Pople, J.A. (1995) Gaussian 94, Revision E2, Gaussian, Inc., Pittsburgh PA.
-
(1995)
Gaussian 94, Revision E2
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
50
-
-
84986432941
-
Automated Docking with Grid-based Energy Evaluation
-
(a) Meng, E.C., Shoichet, B.K. and Kuntz, I.D. (1992) Automated Docking with Grid-based Energy Evaluation. J. Comput. Chem. 13, 505-524.
-
(1992)
J. Comput. Chem.
, vol.13
, pp. 505-524
-
-
Meng, E.C.1
Shoichet, B.K.2
Kuntz, I.D.3
-
51
-
-
0027379219
-
Orientational sampling and rigid-body minimization in molecular docking
-
(b) Meng, B.C., Gschwend, D.A., Blaney, J.M. and Kuntz, I.D. (1993) Orientational sampling and rigid-body minimization in molecular docking. Proteins 17(3), 266-278.
-
(1993)
Proteins
, vol.17
, Issue.3
, pp. 266-278
-
-
Meng, B.C.1
Gschwend, D.A.2
Blaney, J.M.3
Kuntz, I.D.4
-
52
-
-
0027385177
-
Matching chemistry and shape in molecular docking
-
(c) Shoichet, B.K. and Kuntz, I.D. (1993) Matching chemistry and shape in molecular docking. Protein Eng. 6, 723-732.
-
(1993)
Protein Eng.
, vol.6
, pp. 723-732
-
-
Shoichet, B.K.1
Kuntz, I.D.2
-
53
-
-
0006921740
-
-
Department of Pharmaceutical Chemistry, University of California: San Francisco, CA
-
(d) Connolly, M., Gschwend, D.A., Good, A.C., Oshiro, C. and Kuntz, I.D. (1995) DOCK, Version 3.5, Department of Pharmaceutical Chemistry, University of California: San Francisco, CA.
-
(1995)
DOCK, Version 3.5
-
-
Connolly, M.1
Gschwend, D.A.2
Good, A.C.3
Oshiro, C.4
Kuntz, I.D.5
-
54
-
-
0029937609
-
Role of aromatic transmembrane residues of the delta-opioid receptor in ligand recognition
-
Befort, K., Tabbara, L., Kling, D., Maigret, B. and Kieffer, B.L. (1996) Role of aromatic transmembrane residues of the delta-opioid receptor in ligand recognition. J. Biol. Chem. 271, 10161-10168.
-
(1996)
J. Biol. Chem.
, vol.271
, pp. 10161-10168
-
-
Befort, K.1
Tabbara, L.2
Kling, D.3
Maigret, B.4
Kieffer, B.L.5
-
55
-
-
6744257391
-
-
Surratt, C.K., Johnson, P.S , Monwaki., A., Seidleck, B.K., Blaschak, C.J., Wang, J.B. and Uhl, G.R. (1994) Mu opiate receptor. Charged transmembrane domain amino acids are critical for agonist recognition and intrinsic activity.
-
(1994)
Mu Opiate Receptor. Charged Transmembrane Domain Amino Acids Are Critical for Agonist Recognition and Intrinsic Activity
-
-
Surratt, C.K.1
Johnson, P.S.2
Monwaki, A.3
Seidleck, B.K.4
Blaschak, C.J.5
Wang, J.B.6
Uhl, G.R.7
-
56
-
-
0028099965
-
Amino Acids in the Cloned Mouse K Receptor that are Necessary for High Affinity Agonist Binding but not Antagonist Binding
-
Kong, H., Raynor, K. and Reisine, T. (1994) Amino Acids in the Cloned Mouse K Receptor that are Necessary for High Affinity Agonist Binding but not Antagonist Binding. Reg. Pept. 54, 155-156.
-
(1994)
Reg. Pept.
, vol.54
, pp. 155-156
-
-
Kong, H.1
Raynor, K.2
Reisine, T.3
-
57
-
-
0030453407
-
Structure-function analysis of the cloned opiate receptors: Peptide and small molecule interactions
-
Blake, A.D., Bot, G. and Reisine, T. (1996) Structure-function analysis of the cloned opiate receptors: peptide and small molecule interactions. Chem. Biol. 3, 967-972.
-
(1996)
Chem. Biol.
, vol.3
, pp. 967-972
-
-
Blake, A.D.1
Bot, G.2
Reisine, T.3
-
58
-
-
0030040907
-
The conserved aspartate residue in the third putative transmembrane domain of the delta-opioid receptor is not the anionic counterpart for cationic opiate binding but is a constituent of the receptor binding site
-
Befort, K., Tabbara, L., Bausch, S., Chavkin, C., Evans, C. and Kieffer, B. (1996) The conserved aspartate residue in the third putative transmembrane domain of the delta-opioid receptor is not the anionic counterpart for cationic opiate binding but is a constituent of the receptor binding site. Mol. Pharmacol. 49, 216-223.
-
(1996)
Mol. Pharmacol.
, vol.49
, pp. 216-223
-
-
Befort, K.1
Tabbara, L.2
Bausch, S.3
Chavkin, C.4
Evans, C.5
Kieffer, B.6
-
59
-
-
0029013360
-
Analysis of selective binding epitopes for the kappa-opioid receptor antagonist nor-binaltorphimine
-
Hjorth, S.A., Thirstrup, K., Grandy, D.K. and Schwartz, T.W. (1995) Analysis of selective binding epitopes for the kappa-opioid receptor antagonist nor-binaltorphimine. Mol. Pharmacol. 47, 1089-1094.
-
(1995)
Mol. Pharmacol.
, vol.47
, pp. 1089-1094
-
-
Hjorth, S.A.1
Thirstrup, K.2
Grandy, D.K.3
Schwartz, T.W.4
-
60
-
-
0343572477
-
Analgesic Activity and Morphine Antagonism of Compounds Related to Nalorphine
-
Winter, C.A. and Orahovats, P.D. (1957) Analgesic Activity and Morphine Antagonism of Compounds Related to Nalorphine. Arch. Int. Pharmacodyn. CX, 186-202.
-
(1957)
Arch. Int. Pharmacodyn.
, vol.110
, pp. 186-202
-
-
Winter, C.A.1
Orahovats, P.D.2
-
61
-
-
0034628575
-
Molecular Docking Reveals a Novel Binding Site Model for Fentanyl at the μ-Opiod Receptor
-
Ferguson, D.M , Subramanian, G., Paterlini, M.G. and Portoghese, P.S. Molecular Docking Reveals a Novel Binding Site Model for Fentanyl at the μ-Opiod Receptor. (2000) J. Med. Chem, 43, 381-91.
-
(2000)
J. Med. Chem
, vol.43
, pp. 381-391
-
-
Ferguson, D.M.1
Subramanian, G.2
Paterlini, M.G.3
Portoghese, P.S.4
|