-
3
-
-
0002638513
-
-
in F. H. Allen, G. Bergerhoff, R. Sievers (Eds.), Cristallographie Databases - Information Content, Software Systems, Scientific Applications, Data Commission of the International Union of Crystallography, Bonn, Cambridge and Chester
-
E. E. Abola, F. C. Bernstein, S. H. Bryant, T. F. Koetzle, J. Weng, Protein Data Bank, in F. H. Allen, G. Bergerhoff, R. Sievers (Eds.), Cristallographie Databases - Information Content, Software Systems, Scientific Applications, Data Commission of the International Union of Crystallography, Bonn, Cambridge and Chester, 1987; 107-132.
-
(1987)
Protein Data Bank
, pp. 107-132
-
-
Abola, E.E.1
Bernstein, F.C.2
Bryant, S.H.3
Koetzle, T.F.4
Weng, J.5
-
4
-
-
0033954256
-
-
H. M. Berman, J. Westbrook, Z. Feng, G. Gilliland, T. N. Bhat, H. Weissig, I. N. Shindyaiov, P. E. Bourne, Nucleic Acids Res. 2000, 28, 235-242.
-
(2000)
Nucleic 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
Shindyaiov, I.N.7
Bourne, P.E.8
-
5
-
-
0041936278
-
-
F. H. Alien, J. E. Davies, J. J. Galloy, O. Johnson, O. Kennard, C. F. Macrae, E. M. Mitchell, G. F. Mitchell, J. M. A. Smith, D. G. Watson, J. Chem. Inf. Comput. Sei. 1991, 31, 187-204.
-
(1991)
J. Chem. Inf. Comput. Sei
, vol.31
, pp. 187-204
-
-
Alien, F.H.1
Davies, J.E.2
Galloy, J.J.3
Johnson, O.4
Kennard, O.5
Macrae, C.F.6
Mitchell, E.M.7
Mitchell, G.F.8
Smith, J.M.A.9
Watson, D.G.10
-
6
-
-
0036827075
-
-
J. L. Durant, B. A. Leland, D. R. Henry, J. G. Nourse, J. Chem. Inf. Comput. Sei. 2002, 42, 1273-1280.
-
(2002)
J. Chem. Inf. Comput. Sei
, vol.42
, pp. 1273-1280
-
-
Durant, J.L.1
Leland, B.A.2
Henry, D.R.3
Nourse, J.G.4
-
8
-
-
0023478807
-
-
P. S. Shenkin, D. L. Yarmush, R. M. Fine, H. Wang, C. Levinthal, Biopolymers. 1987, 26, 2053-2085.
-
(1987)
Biopolymers
, vol.26
, pp. 2053-2085
-
-
Shenkin, P.S.1
Yarmush, D.L.2
Fine, R.M.3
Wang, H.4
Levinthal, C.5
-
10
-
-
0001731266
-
-
A. Bergner, J. Günther, M. Hendlich, G. Klebe, M. Verdonk, Biopolymers. 2002, 61, 99-110.
-
(2002)
Biopolymers
, vol.61
, pp. 99-110
-
-
Bergner, A.1
Günther, J.2
Hendlich, M.3
Klebe, G.4
Verdonk, M.5
-
12
-
-
84955646383
-
-
in J. E. Ash, W. A. Warr, P. Willett (Eds.), Chemical Structure Systems: Computational Techniques for Representation, Searching, and Processing of Structural Information, Ellis Horwood: Chichester, UK
-
J. M. Barnard, Structure Representation and Searching, in J. E. Ash, W. A. Warr, P. Willett (Eds.), Chemical Structure Systems: Computational Techniques for Representation, Searching, and Processing of Structural Information, Ellis Horwood: Chichester, UK, 1991; 9-56.
-
(1991)
Structure Representation and Searching
, pp. 9-56
-
-
Barnard, J.M.1
-
13
-
-
0028257639
-
-
J. D. Holliday, G. M. Downs, V. J. Gillet, M. F. Lynch, W. Dethlefsen, J. Chem. Inf. Comput. Sei. 1994, 34, 39-46.
-
(1994)
J. Chem. Inf. Comput. Sei
, vol.34
, pp. 39-46
-
-
Holliday, J.D.1
Downs, G.M.2
Gillet, V.J.3
Lynch, M.F.4
Dethlefsen, W.5
-
15
-
-
0004283255
-
-
Chichester, UK
-
J. E. Ash, P. A. Chubb, S. E. Ward, S. M. Welford, P. Willett, Communication, Storage, and Retrieval of Chemical Information, Ellis Horwood Ltd., Chichester, UK, 1985.
-
(1985)
Communication, Storage, and Retrieval of Chemical Information, Ellis Horwood Ltd
-
-
Ash, J.E.1
Chubb, P.A.2
Ward, S.E.3
Welford, S.M.4
Willett, P.5
-
16
-
-
84955649021
-
-
in W. A. Warr (Ed.), Chemical Structures: The International Language of Chemistry: Proceedings of a Conference; 1987 May 31-June 4; Noordwijkerhout, The Netherlands, Springer, Berlin
-
J. M. Barnard, Problems of Substructure Search and their Solution, in W. A. Warr (Ed.), Chemical Structures: The International Language of Chemistry: Proceedings of a Conference; 1987 May 31-June 4; Noordwijkerhout, The Netherlands, Springer, Berlin, 1988; 113-126.
-
(1988)
Problems of Substructure Search and their Solution
, pp. 113-126
-
-
Barnard, J.M.1
-
18
-
-
0003939514
-
Similarity and Clustering in Chemical Information Systems
-
Research Studies Press Ltd., Letchworth, Hertfordshire, UK
-
P. Willett, Similarity and Clustering in Chemical Information Systems, Research Studies Press Ltd., Letchworth, Hertfordshire, UK, 1987.
-
(1987)
-
-
Willett, P.1
-
20
-
-
5344244908
-
-
P. Willett, J. M. Barnard, G. M. Downs, J. Chem. Inf. Comput. Sei. 1998, 38, 983-996.
-
(1998)
J. Chem. Inf. Comput. Sei
, vol.38
, pp. 983-996
-
-
Willett, P.1
Barnard, J.M.2
Downs, G.M.3
-
21
-
-
0035848571
-
-
R. D. Hull, S. B. Singh, R. B. Nachbar, R. P. Sheridan, S. K. Kearsley, E. M. Fluder, J. Med. Chem. 2001, 44, 1177-1184.
-
(2001)
J. Med. Chem
, vol.44
, pp. 1177-1184
-
-
Hull, R.D.1
Singh, S.B.2
Nachbar, R.B.3
Sheridan, R.P.4
Kearsley, S.K.5
Fluder, E.M.6
-
22
-
-
0035837065
-
-
S. B. Singh, R. P. Sheridan, E. M. Fluder, R. D. Hull, J. Med. Chem. 2001, 44, 1564-1575.
-
(2001)
J. Med. Chem
, vol.44
, pp. 1564-1575
-
-
Singh, S.B.1
Sheridan, R.P.2
Fluder, E.M.3
Hull, R.D.4
-
25
-
-
0010451265
-
-
W. Fisanick, K. P. Cross, J. C. Forman, A. Rusinko, III, J. Chem. Inf. Comput. Sei. 1993, 33, 548-559.
-
(1993)
J. Chem. Inf. Comput. Sei
, vol.33
, pp. 548-559
-
-
Fisanick, W.1
Cross, K.P.2
Forman, J.C.3
Rusinko, A.4
-
26
-
-
0001016942
-
-
I. D. Kuntz, E. C. Meng, B. K. Shoichet, Ace. Chem. Res. 1994, 27, 117-123.
-
(1994)
Ace. Chem. Res
, vol.27
, pp. 117-123
-
-
Kuntz, I.D.1
Meng, E.C.2
Shoichet, B.K.3
-
27
-
-
84955718000
-
-
D. A. Gschwend, A. C. Good, I. D. Kuntz, J. Mol. Recognit. 1996, 9, 175186.
-
(1996)
J. Mol. Recognit
, vol.9
, pp. 175186
-
-
Gschwend, D.A.1
Good, A.C.2
Kuntz, I.D.3
-
28
-
-
0033576680
-
-
P. S. Charifson, J. J. Corkery, M. A. Murcko, W. P. Walters, J. Med. Chem. 1999, 42, 5100-5109.
-
(1999)
J. Med. Chem
, vol.42
, pp. 5100-5109
-
-
Charifson, P.S.1
Corkery, J.J.2
Murcko, M.A.3
Walters, W.P.4
-
29
-
-
84955673406
-
-
R. D. Clark, A. Strizhev, J. M. Leonard, J. F. Blake, J. B. Matthew, J. Mol. Graph. Model. 2002, 20, 281295.
-
(2002)
J. Mol. Graph. Model
, vol.20
, pp. 281295
-
-
Clark, R.D.1
Strizhev, A.2
Leonard, J.M.3
Blake, J.F.4
Matthew, J.B.5
-
31
-
-
0030534377
-
-
in K. B. Lipkowitz, D. B. Boyd (Eds.), Reviews in Computational Chemistry, Vol. 7, VCH: New York
-
G. M. Downs, P. Willett, Similarity Searching in Databases of Chemical Structures, in K. B. Lipkowitz, D. B. Boyd (Eds.), Reviews in Computational Chemistry, Vol. 7, VCH: New York, 1996; 1-66.
-
(1996)
Similarity Searching in Databases of Chemical Structures
, pp. 1-66
-
-
Downs, G.M.1
Willett, P.2
-
32
-
-
84955683311
-
-
Taunton, Somerset, England
-
C. A. Pepperrell, Three-dimensional Chemical Similarity Searching, Research Studies Press Ltd., Taunton, Somerset, England, 1994.
-
(1994)
Three-dimensional Chemical Similarity Searching, Research Studies Press Ltd
-
-
Pepperrell, C.A.1
-
33
-
-
0031085189
-
-
D. A. Thorner, P. Willett, P. M. Wright, R. Taylor, J. Comput.-Aided Mol. Des. 1997, 11, 163-174.
-
(1997)
J. Comput.-Aided Mol. Des
, vol.11
, pp. 163-174
-
-
Thorner, D.A.1
Willett, P.2
Wright, P.M.3
Taylor, R.4
-
35
-
-
0026951618
-
-
P. J. Artymiuk, P. A. Bath, H. M. Grindley, C. A. Pepperrell, A. R. Poirrette, D. W. Rice, D. A. Thorner, D. J. Wild, P. Willett, F. H. Allen, R. Taylor, J. Chem. Inf. Comput. Sei. 1992, 32, 617-630.
-
(1992)
J. Chem. Inf. Comput. Sei
, vol.32
, pp. 617-630
-
-
Artymiuk, P.J.1
Bath, P.A.2
Grindley, H.M.3
Pepperrell, C.A.4
Poirrette, A.R.5
Rice, D.W.6
Thorner, D.A.7
Wild, D.J.8
Willett, P.9
Allen, F.H.10
Taylor, R.11
-
36
-
-
84955670510
-
-
P. J. Artymiuk, H. M. Grindley, A. B. Mackenzie, D. W. Rice, E. C. Ujah, P. Willett, Understanding Chemical Reactivity 1995, 14, 123-140.
-
(1995)
Understanding Chemical Reactivity
, vol.14
, pp. 123-140
-
-
Artymiuk, P.J.1
Grindley, H.M.2
Mackenzie, A.B.3
Rice, D.W.4
Ujah, E.C.5
Willett, P.6
-
39
-
-
84986518987
-
-
B. K. Shoichet, D. L. Bodian, I. D. Kuntz,. Comput. Chem. 1992, 13, 380-397.
-
(1992)
Comput. Chem
, vol.13
, pp. 380-397
-
-
Shoichet, B.K.1
Bodian, D.L.2
Kuntz, I.D.3
-
41
-
-
0000460468
-
-
in E. C. Olson, R. E. Christoffersen (Eds.), Computer-Assisted Drug Design, Vol. 112, American Chemical Society: Washington, DC
-
G. R. Marshall, C. D. Barry, H. E. Bosshard, R. A. Dammköhler, D. A. Dunn, The Conformational Parameter in Drug Design: The Active Analog Approach, in E. C. Olson, R. E. Christoffersen (Eds.), Computer-Assisted Drug Design, Vol. 112, American Chemical Society: Washington, DC, 1979; 205-226.
-
(1979)
The Conformational Parameter in Drug Design: The Active Analog Approach
, pp. 205-226
-
-
Marshall, G.R.1
Barry, C.D.2
Bosshard, H.E.3
Dammköhler, R.A.4
Dunn, D.A.5
-
43
-
-
0022485091
-
-
R. P. Sheridan, R. Nilakantan, J. S. Dixon, R. Venkataraghavan, J. Med. Chem. 1986, 29, 899-906.
-
(1986)
J. Med. Chem
, vol.29
, pp. 899-906
-
-
Sheridan, R.P.1
Nilakantan, R.2
Dixon, J.S.3
Venkataraghavan, R.4
-
45
-
-
84955717640
-
-
J. E. Blackwood, P. E. Blower, Jr., S. W. Layten, D. H. Lillie, A. H. iiPKUS, J. P. Peer, C. Qian, L. M. Staggenborg, C. E. Watson, J. Chem. Inf. Comput. Sei. 1991, 31, 204212.
-
(1991)
J. Chem. Inf. Comput. Sei
, vol.31
, pp. 204212
-
-
Blackwood, J.E.1
Blower, P.E.2
Layten, S.W.3
Lillie, D.H.4
Iipkus, A.H.5
Peer, J.P.6
Qian, C.7
Staggenborg, L.M.8
Watson, C.E.9
-
46
-
-
33845752102
-
-
(Ed.), Washington, DC
-
S. R. Heller (Ed.), The Beilstein Online Database: Implementation, Content, and Retrieval, American Chemical Society, Washington, DC, 1990.
-
(1990)
The Beilstein Online Database: Implementation, Content, and Retrieval, American Chemical Society
-
-
Heller, S.R.1
-
47
-
-
0001752768
-
-
F. H. Allen, Acta Cryst. 2002, B58, 380-388.
-
(2002)
Acta Cryst
, vol.58 B
, pp. 380-388
-
-
Allen, F.H.1
-
48
-
-
0028501715
-
-
G. W. A. Milne, M. C. Nicklaus, J. S. Driscoll, S. Wang, D. W. Zaharevitz, J. Chem. Inf. Comput. Sei. 1994, 34, 1219-1224.
-
(1994)
J. Chem. Inf. Comput. Sei
, vol.34
, pp. 1219-1224
-
-
Milne, G.W.A.1
Nicklaus, M.C.2
Driscoll, J.S.3
Wang, S.4
Zaharevitz, D.W.5
-
49
-
-
0037075063
-
-
A. A. Rabow, R. H. Shoemaker, E. A. Sausville, D. G. Covell, J. Med. Chem. 2002, 45, 818-840.
-
(2002)
J. Med. Chem
, vol.45
, pp. 818-840
-
-
Rabow, A.A.1
Shoemaker, R.H.2
Sausville, E.A.3
Covell, D.G.4
-
50
-
-
0035324932
-
-
J. H. Voigt, B. Bienfait, S. Wang, M. C. Nicklaus, J. Chem. Inf. Comput. Sei. 2001, 41, 702-712.
-
(2001)
J. Chem. Inf. Comput. Sei
, vol.41
, pp. 702-712
-
-
Voigt, J.H.1
Bienfait, B.2
Wang, S.3
Nicklaus, M.C.4
-
51
-
-
0002330376
-
-
(Eds.), Ellis Horwood, Chichester, UK
-
J. E. Ash, W. A. Warr, P. Willett (Eds.), Chemical Structure Systems: Computational Techniques for Representation, Searching, and Processing of Structural Information, Ellis Horwood, Chichester, UK, 1991.
-
(1991)
Chemical Structure Systems: Computational Techniques for Representation, Searching, and Processing of Structural Information
-
-
Ash, J.E.1
Warr, W.A.2
Willett, P.3
-
53
-
-
85050542952
-
-
in K. B. Lipkowitz, D. B. Boyd (Eds.), Reviews in Computational Chemistry, VCH Publishers, New York
-
Y. C. Martin, M. G. Bures, P. Willett, Searching Databases of Three-dimensional Structures, in K. B. Lipkowitz, D. B. Boyd (Eds.), Reviews in Computational Chemistry, Vol. 1, VCH Publishers, New York, 1990; 213-263.
-
(1990)
Searching Databases of Three-dimensional Structures
, vol.1
, pp. 213-263
-
-
Martin, Y.C.1
Bures, M.G.2
Willett, P.3
-
54
-
-
0004256644
-
-
Research Studies Press Ltd., Taunton, Somerset, England
-
P. Willett, Three-Dimensional Chemical Structure Handling, Research Studies Press Ltd., Taunton, Somerset, England, 1991.
-
(1991)
Three-Dimensional Chemical Structure Handling
-
-
Willett, P.1
-
58
-
-
0038893532
-
-
E. L. Eliel, S. H. Wilen (Eds.), Topics in Stereochemistry, John Wiley and Sons, New York
-
M. G. Bures, Y. C. Martin, P. Willett, Searching Techniques for Databases of Three-dimensional Chemical Structures, in E. L. Eliel, S. H. Wilen (Eds.), Topics in Stereochemistry, Vol. 21, John Wiley and Sons, New York, 1994; 467511.
-
(1994)
Searching Techniques for Databases of Three-dimensional Chemical Structures
, vol.21
, pp. 467-511
-
-
Bures, M.G.1
Martin, Y.C.2
Willett, P.3
-
60
-
-
0030534012
-
-
in K. B. Lipkowitz, D. B. Boyd (Eds.), Reviews in Computational Chemistry, VCH, New York
-
A. C. Good, J. S. Mason, Three-dimensional Structure Database Searches, in K. B. Lipkowitz, D. B. Boyd (Eds.), Reviews in Computational Chemistry, Vol. 7, VCH, New York, 1996; 67-117.
-
(1996)
Three-dimensional Structure Database Searches
, vol.7
, pp. 67-117
-
-
Good, A.C.1
Mason, J.S.2
-
61
-
-
0004866803
-
-
A. C. Good, J. S. Mason, S. D. Pickett, Meth. Princ. Med. Chem. 2000, 10, 131-159.
-
(2000)
Meth. Princ. Med. Chem
, vol.10
, pp. 131-159
-
-
Good, A.C.1
Mason, J.S.2
Pickett, S.D.3
-
62
-
-
1542620460
-
-
K. J. Lipscomb, M. F. Lynch, P. Willett, Annu. Rev. Inf. Sei. Technol. 1989, 24, 189-238.
-
(1989)
Annu. Rev. Inf. Sei. Technol
, vol.24
, pp. 189-238
-
-
Lipscomb, K.J.1
Lynch, M.F.2
Willett, P.3
-
64
-
-
84955756881
-
Chemical Information: Information in Chemistry, Pharmacology, and Patents
-
Montreux, Switzerland, September 2628,), Springer, New York and Berlin
-
H. R. Collier (Ed.), Chemical Information: Information in Chemistry, Pharmacology, and Patents (Proceedings of the International Conference, Montreux, Switzerland, September 2628, 1989), Springer, New York and Berlin, 1989.
-
(1989)
Proceedings of the International Conference
-
-
Collier, H.R.1
-
65
-
-
84955669611
-
-
(Ed.),; May 31-June 4; Noordwijkerhout, The Netherlands, Springer, Berlin and New York, 1988
-
W. A. Warr (Ed.), Chemical Structures: The International Language of Chemistry: Proceedings of a Conference; 1987 May 31-June 4; Noordwijkerhout, The Netherlands, Springer, Berlin and New York, 1988. 66 W. A. Warr (Ed.), Chemical Structures 2: The International Language of Chemistry: Proceedings of the 2nd International Conference; 1990 June 3-7; Noordwijkerhout, The Netherlands, Springer, Berlin, 1993.
-
(1987)
Chemical Structures: The International Language of Chemistry: Proceedings of a Conference
-
-
Warr, W.A.1
-
66
-
-
84955714972
-
-
(Ed.), June 3-7; Noordwijkerhout, The Netherlands, Springer, Berlin, 1993
-
W. A. Warr (Ed.), Chemical Structures 2: The International Language of Chemistry: Proceedings of the 2nd International Conference; 1990 June 3-7; Noordwijkerhout, The Netherlands, Springer, Berlin, 1993.
-
(1990)
Chemical Structures 2: The International Language of Chemistry: Proceedings of the 2nd International Conference
-
-
Warr, W.A.1
-
67
-
-
84955666251
-
-
In P. V.R. Schleyer, N. L. Auinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, P. R. Schreiner (Eds.), Encyclopedia of Computational Chemistry. Chichester, UK: John Wiley and Sons: Chichester, UK
-
C. G. Paris, Structure Databases, In P. V.R. Schleyer, N. L. Auinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, P. R. Schreiner (Eds.), Encyclopedia of Computational Chemistry. Chichester, UK: John Wiley and Sons: Chichester, UK, 1998, 2771-2785.
-
(1998)
Structure Databases
, pp. 2771-2785
-
-
Paris, C.G.1
|