-
1
-
-
85057214100
-
-
Taylor & Francis Group, LLC CRC Press, Boca Raton, FL
-
Alvarez, J. and Shoichet, B. (2005). "Virtual Screening in Drug Discovery". Taylor & Francis Group, LLC CRC Press, Boca Raton, FL.
-
(2005)
Virtual Screening in Drug Discovery
-
-
Alvarez, J.1
Shoichet, B.2
-
2
-
-
0014198539
-
Specific anosmia: A clue to the olfactory code
-
Amoore, J. E. (1963). Specific anosmia: A clue to the olfactory code. Nature 214, 1095-1098.
-
(1963)
Nature
, vol.214
, pp. 1095-1098
-
-
Amoore, J.E.1
-
3
-
-
0014198539
-
Specific anosmia: A clue to the olfactory code
-
Amoore, J. E. (1967). Specific anosmia: A clue to the olfactory code. Nature 214, 1095-1098.
-
(1967)
Nature
, vol.214
, pp. 1095-1098
-
-
Amoore, J.E.1
-
4
-
-
0015238709
-
Stereocehmical and vibrational theories of odour
-
Amoore, J. E. (1971). Stereocehmical and vibrational theories of odour. Nature 233, 270-271.
-
(1971)
Nature
, vol.233
, pp. 270-271
-
-
Amoore, J.E.1
-
5
-
-
0014209033
-
Molecular shape and odor: Pattern analysis by PAPA
-
Amoore, J. E., Palmieri, G., and Wanke, E. (1967). Molecular shape and odor: Pattern analysis by PAPA. Nature 216, 1084-1087.
-
(1967)
Nature
, vol.216
, pp. 1084-1087
-
-
Amoore, J.E.1
Palmieri, G.2
Wanke, E.3
-
6
-
-
8444225024
-
Molecular biology: NIH molecular libraries initiative
-
Austin, C. P., Brady, L. S., Insel, T. R., and Collins, F. S. (2004). Molecular biology: NIH molecular libraries initiative. Science 306, 1138-1139.
-
(2004)
Science
, vol.306
, pp. 1138-1139
-
-
Austin, C.P.1
Brady, L.S.2
Insel, T.R.3
Collins, F.S.4
-
7
-
-
0033954256
-
The Protein Data Bank
-
Berman, H. M., Westbrook, J., Feng, Z., Gilliland, G., Bhat, T. N., Weissig, H., Shindyalov, I. N., and Bourne, P. E. (2000). The Protein Data Bank. Nucl. Acids Res. 28, 235-242.
-
(2000)
Nucl. Acids Res.
, vol.28
, pp. 235-242
-
-
Berman, H.M.1
Westbrook, J.2
Feng, Z.3
Gilliland, G.4
Bhat, T.N.5
Weissig, H.6
Shindyalov, I.N.7
Bourne, P.E.8
-
8
-
-
50149116588
-
Agonist-induced conformational changes in bovine rhodopsin: Insight into activation of G-protein-coupled receptors
-
Bhattacharya, S., Hall, S. E., and Vaidehi, N. (2008). Agonist-induced conformational changes in bovine rhodopsin: Insight into activation of G-protein-coupled receptors. J. Mol. Biol. 382, 539-555.
-
(2008)
J. Mol. Biol.
, vol.382
, pp. 539-555
-
-
Bhattacharya, S.1
Hall, S.E.2
Vaidehi, N.3
-
9
-
-
0000242652
-
Chemoinformatics: What is it and how does it impact drug discovery?
-
Brown, F. K. (1998). Chemoinformatics: What is it and how does it impact drug discovery? Ann. Rep. Med. Chem. 33, 375-384.
-
(1998)
Ann. Rep. Med. Chem.
, vol.33
, pp. 375-384
-
-
Brown, F.K.1
-
10
-
-
0025825726
-
A novel multigene family may encode odorant receptors: A molecular basis for odor recognition
-
Buck, L. and Axel, R. (1991). A novel multigene family may encode odorant receptors: A molecular basis for odor recognition. Cell 65, 175-187.
-
(1991)
Cell
, vol.65
, pp. 175-187
-
-
Buck, L.1
Axel, R.2
-
11
-
-
0031600598
-
Data management in olfactation studies
-
Chastrette, M. (1998). Data management in olfactation studies. SAR QSAR Environ. Res. 8, 157-181.
-
(1998)
SAR QSAR Environ. Res.
, vol.8
, pp. 157-181
-
-
Chastrette, M.1
-
12
-
-
36448995359
-
High-resolution crystal structure of an engineered human 2-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 2-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
-
13
-
-
0035977051
-
Binding of the beta2 adrenergic receptor to N-ethylmaleimide-sensitive factor regulates receptor recycling
-
Cong, M., Perry, S. J., Hu, L. A., Hanson, P. I., Claing, A., and Lefkowitz, R. J. (2001). Binding of the beta2 adrenergic receptor to N-ethylmaleimide-sensitive factor regulates receptor recycling. J. Biol. Chem. 276, 45145-45152.
-
(2001)
J. Biol. Chem.
, vol.276
, pp. 45145-45152
-
-
Cong, M.1
Perry, S.J.2
Hu, L.A.3
Hanson, P.I.4
Claing, A.5
Lefkowitz, R.J.6
-
14
-
-
33845868822
-
PHASE: A new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results
-
Dixon, S. L., Smondyrev, A. M., Knoll, E. H., Rao, S. N., Shaw, D. E., and Friesner, R. A. (2006). PHASE: A new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results. J. Comput. Aid. Mol. Des. 20, 647-671.
-
(2006)
J. Comput. Aid. Mol. Des.
, vol.20
, pp. 647-671
-
-
Dixon, S.L.1
Smondyrev, A.M.2
Knoll, E.H.3
Rao, S.N.4
Shaw, D.E.5
Friesner, R.A.6
-
15
-
-
11144341956
-
Chemical space and biology
-
Dobson, C. M. (2004). Chemical space and biology. Nature 432, 824-828.
-
(2004)
Nature
, vol.432
, pp. 824-828
-
-
Dobson, C.M.1
-
16
-
-
58149175157
-
SuperScent-A database of flavors and scents
-
Dunkel, M., Schmidt, U., Struck, S., Berger, L., Gruening, B., Hossbach, J., Jaeger, I. S., Effmert, U., Piechulla, B., Eriksson, R., Knudsen, J., and Preissner, R. (2009). SuperScent-A database of flavors and scents. Nucl. Acids Res. 37, pp. D291-D294.
-
(2009)
Nucl. Acids Res.
, vol.37
-
-
Dunkel, M.1
Schmidt, U.2
Struck, S.3
Berger, L.4
Gruening, B.5
Hossbach, J.6
Jaeger, I.S.7
Effmert, U.8
Piechulla, B.9
Eriksson, R.10
Knudsen, J.11
Preissner, R.12
-
17
-
-
0012128060
-
Database of biologically active peptide sequences
-
Dziuba, J., Minkiewicz, P., Nalecz, D., and Iwaniak, A. (1999). Database of biologically active peptide sequences. Nahrung 43, 190-195.
-
(1999)
Nahrung
, vol.43
, pp. 190-195
-
-
Dziuba, J.1
Minkiewicz, P.2
Nalecz, D.3
Iwaniak, A.4
-
18
-
-
84861464340
-
-
Glide Schrödinger, LLC, New York, NY, version 5.0
-
Glide (2008). Schrödinger, LLC, New York, NY, version 5.0.
-
(2008)
-
-
-
19
-
-
13844312649
-
ZINC-A free database of commercially available compounds for virtual screening
-
Irwin, J. J. and Shoichet, B. K. (2005). ZINC-A free database of commercially available compounds for virtual screening. J. Chem. Inf. Model. 45, 177-182.
-
(2005)
J. Chem. Inf. Model.
, vol.45
, pp. 177-182
-
-
Irwin, J.J.1
Shoichet, B.K.2
-
21
-
-
37249016887
-
Fast and efficient in silico 3D screening: Toward maximum computational efficiency of pharmacophore-based and shape-based approaches
-
Kirchmair, J., Ristic, S., Eder, K., Markt, P., Wolber, G., Laggner, C., and Langer, T. (2007). Fast and efficient in silico 3D screening: Toward maximum computational efficiency of pharmacophore-based and shape-based approaches. J. Chem. Inf. Model. 47, 2182-2196.
-
(2007)
J. Chem. Inf. Model.
, vol.47
, pp. 2182-2196
-
-
Kirchmair, J.1
Ristic, S.2
Eder, K.3
Markt, P.4
Wolber, G.5
Laggner, C.6
Langer, T.7
-
22
-
-
8844263008
-
Docking and scoring in virtual screening for drug discovery: Methods and applications
-
Kitchen, D. B., Decornez, H., Furr, J. R., and Bajorath, J. (2004). Docking and scoring in virtual screening for drug discovery: Methods and applications. Nat. Rev. Drug Discov. 3, 935-949.
-
(2004)
Nat. Rev. Drug Discov.
, vol.3
, pp. 935-949
-
-
Kitchen, D.B.1
Decornez, H.2
Furr, J.R.3
Bajorath, J.4
-
23
-
-
0034283584
-
Odds and trends: Recent developments in the chemistry of odorants
-
Kraft, P., Bajgrowicz, J. A., Denis, C., and Frater, G. (2000). Odds and trends: Recent developments in the chemistry of odorants. Angew. Chem. Int. Ed. 39, 2980-3010.
-
(2000)
Angew. Chem. Int. Ed.
, vol.39
, pp. 2980-3010
-
-
Kraft, P.1
Bajgrowicz, J.A.2
Denis, C.3
Frater, G.4
-
24
-
-
0030771347
-
QSAR and 3D QSAR in drug design. 1. Methodology
-
Kubinyi, H. (1997a). QSAR and 3D QSAR in drug design. 1. Methodology. Drug Discov. Today 2, 457-467.
-
(1997)
Drug Discov. Today
, vol.2
, pp. 457-467
-
-
Kubinyi, H.1
-
25
-
-
0030828787
-
QSAR and 3D QSAR in drug design. 2. Applications and problems
-
Kubinyi, H. (1997b). QSAR and 3D QSAR in drug design. 2. Applications and problems. Drug Discov. Today 2, 538-546.
-
(1997)
Drug Discov. Today
, vol.2
, pp. 538-546
-
-
Kubinyi, H.1
-
27
-
-
33746931581
-
On outliers and activity cliffs-Why QSAR often disappoints
-
Maggiora, G. M. (2006). On outliers and activity cliffs-Why QSAR often disappoints. J. Chem. Inf. Model. 46, 1535.
-
(2006)
J. Chem. Inf. Model.
, vol.46
, pp. 1535
-
-
Maggiora, G.M.1
-
28
-
-
44449163419
-
Conformation-opioid activity relationships of bicyclic guanidines from 3D similarity analysis
-
Martinez-Mayorga, K., Medina-Franco, J. L., Giulianotti, M. A., Pinilla, C., Dooley, C. T., Appel, J. R., and Houghten, R. (2008). Conformation-opioid activity relationships of bicyclic guanidines from 3D similarity analysis. Bioorg. Med. Chem. 16, 5932-5938.
-
(2008)
Bioorg. Med. Chem.
, vol.16
, pp. 5932-5938
-
-
Martinez-Mayorga, K.1
Medina-Franco, J.L.2
Giulianotti, M.A.3
Pinilla, C.4
Dooley, C.T.5
Appel, J.R.6
Houghten, R.7
-
29
-
-
58149203232
-
MMsINC: A large-scale chemoinformatics database
-
Masciocchi, J., Frau, G., Fanton, M., Sturlese, M., Floris, M., Pireddu, L., Palla, P., Cedrati, F., Rodriguez-Tome, P., and Moro, S. (2009). MMsINC: A large-scale chemoinformatics database. Nucl. Acids Res. 37, D284-D290.
-
(2009)
Nucl. Acids Res.
, vol.37
-
-
Masciocchi, J.1
Frau, G.2
Fanton, M.3
Sturlese, M.4
Floris, M.5
Pireddu, L.6
Palla, P.7
Cedrati, F.8
Rodriguez-Tome, P.9
Moro, S.10
-
30
-
-
0346665839
-
Gaussian docking functions
-
McGann, M. R., Almond, H. R., Nicholls, A., Grant, J. A., and Brown, F. K. (2003). Gaussian docking functions. Biopolymers 68, 76-90.
-
(2003)
Biopolymers
, vol.68
, pp. 76-90
-
-
McGann, M.R.1
Almond, H.R.2
Nicholls, A.3
Grant, J.A.4
Brown, F.K.5
-
31
-
-
35348970306
-
A similarity-based data-fusion approach to the visual characterization and comparison of compound databases
-
Medina-Franco, J. L., Maggiora, G. M., Gulianotti, M. A., Pinilla, C., and Houghten, R. A. (2007). A similarity-based data-fusion approach to the visual characterization and comparison of compound databases. Chem. Biol. Drug. Des. 70, 393-412.
-
(2007)
Chem. Biol. Drug. Des.
, vol.70
, pp. 393-412
-
-
Medina-Franco, J.L.1
Maggiora, G.M.2
Gulianotti, M.A.3
Pinilla, C.4
Houghten, R.A.5
-
32
-
-
65249087355
-
Characterization of activity landscapes using 2D and 3D similarity methods: Consensus activity cliffs
-
Medina-Franco, J. L., Martínez-Mayorga, K., Bender, A., Marín, R. M., Giulianotti, M. A., Pinilla, C., and Houghten, R. A. (2009). Characterization of activity landscapes using 2D and 3D similarity methods: Consensus activity cliffs. J. Chem. Inf. Model. 49, 477-491.
-
(2009)
J. Chem. Inf. Model.
, vol.49
, pp. 477-491
-
-
Medina-Franco, J.L.1
Martínez-Mayorga, K.2
Bender, A.3
Marín, R.M.4
Giulianotti, M.A.5
Pinilla, C.6
Houghten, R.A.7
-
33
-
-
65249097454
-
Visualization of the chemical space in drug discovery
-
Medina-Franco, J. L., Martinez-Mayorga, K., Giulianotti, M. A., Houghten, R. A., and Pinilla, C. (2008). Visualization of the chemical space in drug discovery. Curr. Comput. Aid. Drug Des. 4, 323-334.
-
(2008)
Curr. Comput. Aid. Drug Des.
, vol.4
, pp. 323-334
-
-
Medina-Franco, J.L.1
Martinez-Mayorga, K.2
Giulianotti, M.A.3
Houghten, R.A.4
Pinilla, C.5
-
34
-
-
0036491696
-
Chemical database techniques in drug discovery
-
Miller, M. A. (2002). Chemical database techniques in drug discovery. Nat. Rev. Drug Discov. 1, 220-227.
-
(2002)
Nat. Rev. Drug Discov.
, vol.1
, pp. 220-227
-
-
Miller, M.A.1
-
36
-
-
70349932423
-
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
-
Doi: 10.1002/jcc.21256
-
Morris, G. M., Huey, R., Lindstrom, W., Sanner, M. F., Belew, R. K., Goodsell, D. S., and Olson, A. J. (2009). AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility. J. Comput. Chem. Doi: 10.1002/jcc.21256.
-
(2009)
J. Comput. Chem.
-
-
Morris, G.M.1
Huey, R.2
Lindstrom, W.3
Sanner, M.F.4
Belew, R.K.5
Goodsell, D.S.6
Olson, A.J.7
-
37
-
-
33746321096
-
Chrystallographic analysis of primary visual photochemistry
-
Nakamichi, H. and Okada, T. (2006a). Chrystallographic analysis of primary visual photochemistry. Angew. Chem. Int. Ed. 45, 4270-4273.
-
(2006)
Angew. Chem. Int. Ed.
, vol.45
, pp. 4270-4273
-
-
Nakamichi, H.1
Okada, T.2
-
38
-
-
33748079137
-
Local peptide movement in the photoreaction intermediate of rhodopsin
-
Nakamichi, H. and Okada, T. (2006b). Local peptide movement in the photoreaction intermediate of rhodopsin. Proc. Natl. Acad. Sci. USA 103, 12729-12734.
-
(2006)
Proc. Natl. Acad. Sci. USA
, vol.103
, pp. 12729-12734
-
-
Nakamichi, H.1
Okada, T.2
-
39
-
-
85031181785
-
-
Omega version 2.2.1 OpenEye Scientific Software: Santa Fe, NM, USA.
-
Omega version 2.2.1 OpenEye Scientific Software: Santa Fe, NM, USA, www.eyesopen.com..
-
-
-
-
40
-
-
0034604451
-
Crystal structure of rhodopsin: A G protein-coupled receptor
-
Palczewski, K., Kumasaka, T., Hori, T., Behnke, C. A., Motoshima, H., Fox, B. A., Trong, I. L., 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
Trong, I.L.7
Teller, D.C.8
Okada, T.9
Stenkamp, R.E.10
Yamamoto, M.11
Miyano, M.12
-
42
-
-
34248576316
-
Molecular similarity analysis uncovers heterogeneous structure-activity relationships and variable activity landscapes
-
Peltason, L. and Bajorath, J. (2007). Molecular similarity analysis uncovers heterogeneous structure-activity relationships and variable activity landscapes. Chem. Biol. 14, 489-497.
-
(2007)
Chem. Biol.
, vol.14
, pp. 489-497
-
-
Peltason, L.1
Bajorath, J.2
-
43
-
-
72149133508
-
Molecular similarity analysis in virtual screening
-
(A. Varnek and A. Tropsha, eds). RSC Publishing, Cambridge, UK.
-
Peltason, L. and Bajorath, J. (2008). Molecular similarity analysis in virtual screening. In "Chemoinformatics Approaches to Virtual Screening", (A. Varnek and A. Tropsha, eds), pp. 120-147. RSC Publishing, Cambridge, UK.
-
(2008)
Chemoinformatics Approaches to Virtual Screening
, pp. 120-147
-
-
Peltason, L.1
Bajorath, J.2
-
44
-
-
34250643512
-
Docking and virtual screening of ACE inhibitory dipeptides
-
Pripp, A. H. (2007). Docking and virtual screening of ACE inhibitory dipeptides. Eur. Food. Res. Technol. 225, 589-592.
-
(2007)
Eur. Food. Res. Technol.
, vol.225
, pp. 589-592
-
-
Pripp, A.H.1
-
45
-
-
36248970132
-
Crystal structure of the human beta2 adrenergic G-protein-coupled receptor
-
Rasmussen, S. G. F., Choi, H.-J., Rosenbaum, D. M., Kobilka, T. S., Thian, F. S., Edwards, P. C., Burghammer, M., Ratnala, V. R. P., Sanishvili, R., Fischetti, R. F., Schertler, G. F. X., Weis, W. I., et al. (2007). Crystal structure of the human beta2 adrenergic G-protein-coupled receptor. Nature 450, 383-387.
-
(2007)
Nature
, vol.450
, pp. 383-387
-
-
Rasmussen, S.G.F.1
Choi, H.-J.2
Rosenbaum, D.M.3
Kobilka, T.S.4
Thian, F.S.5
Edwards, P.C.6
Burghammer, M.7
Ratnala, V.R.P.8
Sanishvili, R.9
Fischetti, R.F.10
Schertler, G.F.X.11
Weis, W.I.12
-
46
-
-
85031190888
-
-
ROCS version 2.3.1 OpenEye Scientific Software: Santa Fe, NM, USA
-
ROCS version 2.3.1 OpenEye Scientific Software: Santa Fe, NM, USA, www.eyesopen.com.
-
-
-
-
47
-
-
36448978229
-
GPCR engineering yields high-resolution structural insights into beta2 adrenergic receptor function
-
Rosenbaum, D. M., Cherezov, V., Hanson, M. A., Rasmussen, S. G. F., Thian, F. S., Kobilka, T. S., Choi, H.-J., Yao, X.-J., Weis, W. I., Stevens, R. C., and Kobilka, B. K. (2007). GPCR engineering yields high-resolution structural insights into beta2 adrenergic receptor function. Science 318, 1266-1273.
-
(2007)
Science
, vol.318
, pp. 1266-1273
-
-
Rosenbaum, D.M.1
Cherezov, V.2
Hanson, M.A.3
Rasmussen, S.G.F.4
Thian, F.S.5
Kobilka, T.S.6
Choi, H.-J.7
Yao, X.-J.8
Weis, W.I.9
Stevens, R.C.10
Kobilka, B.K.11
-
48
-
-
5044235587
-
Electron crystallography reveals the structure of metarhodopsin I
-
Ruprecht, J. J., Mielke, T., Vogel, R., Villa, C., and Schertler, G. F. X. (2004). Electron crystallography reveals the structure of metarhodopsin I. EMBO J. 23, 3609-3620.
-
(2004)
EMBO J
, vol.23
, pp. 3609-3620
-
-
Ruprecht, J.J.1
Mielke, T.2
Vogel, R.3
Villa, C.4
Schertler, G.F.X.5
-
49
-
-
33750836895
-
Crystal structure of a photoactivated deprotonated intermediate of rhodopsin
-
Salom, D., Lodowski, D. T., Stenkamp, R. E., Trong, I. L., Golczak, M., Jastrzebska, B., Harris, T., Ballesteros, J. A., and Palczewski, K. (2006). Crystal structure of a photoactivated deprotonated intermediate of rhodopsin. Proc. Natl. Acad. Sci. USA 103, 16123-16128.
-
(2006)
Proc. Natl. Acad. Sci. USA
, vol.103
, pp. 16123-16128
-
-
Salom, D.1
Lodowski, D.T.2
Stenkamp, R.E.3
Trong, I.L.4
Golczak, M.5
Jastrzebska, B.6
Harris, T.7
Ballesteros, J.A.8
Palczewski, K.9
-
50
-
-
34548189765
-
Large compound databases for structure-activity relationships studies in drug discovery
-
Scior, T., Bernard, P., Medina-Franco, J. L., and Maggiora, G. M. (2007). Large compound databases for structure-activity relationships studies in drug discovery. Mini-Rev. Med. Chem. 7, 851-860.
-
(2007)
Mini-Rev. Med. Chem.
, vol.7
, pp. 851-860
-
-
Scior, T.1
Bernard, P.2
Medina-Franco, J.L.3
Maggiora, G.M.4
-
51
-
-
33749250384
-
On the unpredictability of odor
-
Sell, C. S. (2006). On the unpredictability of odor. Angew. Chem. Int. Ed. 45, 6254-6261.
-
(2006)
Angew. Chem. Int. Ed.
, vol.45
, pp. 6254-6261
-
-
Sell, C.S.1
-
52
-
-
84861467854
-
Rational odorant design: Fantasy or feasibility? Perfum
-
Sell, C. S. (2008). Rational odorant design: Fantasy or feasibility? Perfum. Flavor. 33, 48-52.
-
(2008)
Flavor
, vol.33
, pp. 48-52
-
-
Sell, C.S.1
-
53
-
-
66149148225
-
Chemoinformatic analysis of combinatorial libraries, drugs, natural products, and molecular libraries small molecule repository
-
Singh, N., Guha, R., Giulianotti, M. A., Pinilla, C., Houghten, R. A., and Medina-Franco, J. L. (2009). Chemoinformatic analysis of combinatorial libraries, drugs, natural products, and molecular libraries small molecule repository. J. Chem. Inf. Model. 49, 1010-1024.
-
(2009)
J. Chem. Inf. Model.
, vol.49
, pp. 1010-1024
-
-
Singh, N.1
Guha, R.2
Giulianotti, M.A.3
Pinilla, C.4
Houghten, R.A.5
Medina-Franco, J.L.6
-
54
-
-
34447102457
-
A comparison of the chemical properties of drugs and FEMA/FDA notified GRAS chemical compounds used in the food industry
-
Sprous, D. G. and Salemme, F. R. (2007). A comparison of the chemical properties of drugs and FEMA/FDA notified GRAS chemical compounds used in the food industry. Food Chem. Toxicol. 45, 1419-1427.
-
(2007)
Food Chem. Toxicol.
, vol.45
, pp. 1419-1427
-
-
Sprous, D.G.1
Salemme, F.R.2
-
55
-
-
48749113684
-
Atomistic insights into rhodopsin activation from a dynamic model
-
Tikhonova, I. G., Best, R. B., Engel, S., Gershengorn, M. C., Hummer, G., and Costanzi, S. (2008). Atomistic insights into rhodopsin activation from a dynamic model. J. Am. Chem. Soc. 130, 10141-10149.
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 10141-10149
-
-
Tikhonova, I.G.1
Best, R.B.2
Engel, S.3
Gershengorn, M.C.4
Hummer, G.5
Costanzi, S.6
-
56
-
-
0041488802
-
Pharmacophore discovery-Lessons learned
-
van Drie, J. H. (2003). Pharmacophore discovery-Lessons learned. Curr. Pharm. Desgn. 9, 1649.
-
(2003)
Curr. Pharm. Desgn.
, vol.9
, pp. 1649
-
-
van Drie, J.H.1
-
58
-
-
85013786675
-
-
Elsevier, Academic Press, London, UK
-
Wermuth, C. G. (2008). The Practice of Medicinal Chemistry. Elsevier, Academic Press, London, UK.
-
(2008)
-
-
Wermuth, C.G.1
-
59
-
-
33646086965
-
Challenges for chemoinformatics education in drug discovery
-
Wild, D. J. and Wiggings, G. D. (2006). Challenges for chemoinformatics education in drug discovery. Drug Discov. Today 11, 436-439.
-
(2006)
Drug Discov. Today
, vol.11
, pp. 436-439
-
-
Wild, D.J.1
Wiggings, G.D.2
-
60
-
-
33845995827
-
Enhancing the effectiveness of ligand-based virtual screening using data fusion
-
Willett, P. (2006a). Enhancing the effectiveness of ligand-based virtual screening using data fusion. QSAR Comb. Sci. 25, 1143-1152.
-
(2006)
QSAR Comb. Sci.
, vol.25
, pp. 1143-1152
-
-
Willett, P.1
-
61
-
-
33751246188
-
Similarity-based virtual screening using 2D fingerprints
-
Willett, P. (2006b). Similarity-based virtual screening using 2D fingerprints. Drug Discov. Today 11, 1046-1053.
-
(2006)
Drug Discov. Today
, vol.11
, pp. 1046-1053
-
-
Willett, P.1
-
62
-
-
5344244908
-
Chemical similarity searching
-
Willett, P., Barnard, J. M., and Downs, G. M. (1998). Chemical similarity searching. J. Chem. Inf. Comput. Sci. 38, 983-996.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 983-996
-
-
Willett, P.1
Barnard, J.M.2
Downs, G.M.3
-
63
-
-
38549151817
-
DrugBank: A knowledgebase for drugs, drug actions and drug targets
-
Wishart, D. S., Knox, C., Guo, A. C., Cheng, D., Shrivastava, S., Tzur, D., Gautam, B., and Hassanali, M. (2008). DrugBank: A knowledgebase for drugs, drug actions and drug targets. Nucl. Acids Res. 36, D901-D906.
-
(2008)
Nucl. Acids Res
, vol.36
-
-
Wishart, D.S.1
Knox, C.2
Guo, A.C.3
Cheng, D.4
Shrivastava, S.5
Tzur, D.6
Gautam, B.7
Hassanali, M.8
-
64
-
-
67651100857
-
Identification, binding mode prediction and structure-activity relationships of potent triamine and piperazine opioid ligands
-
Yongye, A. B., Appel, J. R., Giulianotti, M., Dooley, C. T., Medina-Franco, J. L., Nefzi, A., Houghten, R., and Martinez-Mayorga, K. (2009). Identification, binding mode prediction and structure-activity relationships of potent triamine and piperazine opioid ligands. Bioorg. Med. Chem. 17, 5583-5597.
-
(2009)
Bioorg. Med. Chem.
, vol.17
, pp. 5583-5597
-
-
Yongye, A.B.1
Appel, J.R.2
Giulianotti, M.3
Dooley, C.T.4
Medina-Franco, J.L.5
Nefzi, A.6
Houghten, R.7
Martinez-Mayorga, K.8
-
65
-
-
34447316434
-
The sense of smell: Molecular basis of odorant recognition
-
Zarzo, M. (2007). The sense of smell: Molecular basis of odorant recognition. Biol. Rev. 82, 455-479.
-
(2007)
Biol. Rev.
, vol.82
, pp. 455-479
-
-
Zarzo, M.1
-
66
-
-
0035237870
-
The human olfactory receptor repertoire
-
Zozulya, S., Echeverri, F., and Nguyen, T. (2001). The human olfactory receptor repertoire. Genome Biol. 2, 18.11-18.12.
-
(2001)
Genome Biol
, vol.2
-
-
Zozulya, S.1
Echeverri, F.2
Nguyen, T.3
|