-
5
-
-
0342277640
-
-
van Gunsteren, W. F., Weiner, P. K., Wilkinson, A. J., Eds.; Kluwer/Escom: Dordrecht
-
Grant, J. A.; Pickup, B. T. In Computer Simulation of Biomolecular Systems. Theoretical and Experimental Applications; van Gunsteren, W. F., Weiner, P. K., Wilkinson, A. J., Eds.; Kluwer/Escom: Dordrecht, 1997; Vol. 3, p 150.
-
(1997)
Computer Simulation of Biomolecular Systems. Theoretical and Experimental Applications
, vol.3
, pp. 150
-
-
Grant, J.A.1
Pickup, B.T.2
-
6
-
-
0035014140
-
-
Maggiora, G. M.; Rohrer, D. C.; Mestres, J. J. Mol. Graphics Model 2001, 19, 168.
-
(2001)
J. Mol. Graphics Model
, vol.19
, pp. 168
-
-
Maggiora, G.M.1
Rohrer, D.C.2
Mestres, J.3
-
8
-
-
0002380132
-
-
Tsirelson, V. G.; Avilov, A. S.; Abramov, Y. A.; Belokoneva, E. L.; Kitaneh, R.; Feil, D. Acta Crystallogr. B 1998, 54, 8.
-
(1998)
Acta Crystallogr. B
, vol.54
, pp. 8
-
-
Tsirelson, V.G.1
Avilov, A.S.2
Abramov, Y.A.3
Belokoneva, E.L.4
Kitaneh, R.5
Feil, D.6
-
9
-
-
0000727609
-
-
Tsirelson, V.; Abramov, Y.; Zavodnik, V.; Stash, A.; Belokoneva, E.; Stahn, J.; Pietsch, U.; Feil, D. Struct. Chem. 1998, 9, 249.
-
(1998)
Struct. Chem.
, vol.9
, pp. 249
-
-
Tsirelson, V.1
Abramov, Y.2
Zavodnik, V.3
Stash, A.4
Belokoneva, E.5
Stahn, J.6
Pietsch, U.7
Feil, D.8
-
10
-
-
0032232493
-
-
Gironés, X.; Amat, L.; Carbó-Dorca, R. J. Mol. Graphics Model 1998, 16, 190.
-
(1998)
J. Mol. Graphics Model
, vol.16
, pp. 190
-
-
Gironés, X.1
Amat, L.2
Carbó-Dorca, R.3
-
11
-
-
0034975675
-
-
Gironés, X.; Carbó-Dorca, R.; Mezey, P. G. J. Mol. Graphics Model 2001, 19, 343.
-
(2001)
J. Mol. Graphics Model
, vol.19
, pp. 343
-
-
Gironés, X.1
Carbó-Dorca, R.2
Mezey, P.G.3
-
13
-
-
0036071946
-
-
Downs, R. T.; Gibbs, G. V.; Boisen, M. B., Jr.; Rosso, K. M. Phys. Chem. Minerals 2002, 29, 369.
-
(2002)
Phys. Chem. Minerals
, vol.29
, pp. 369
-
-
Downs, R.T.1
Gibbs, G.V.2
Boisen Jr., M.B.3
Rosso, K.M.4
-
14
-
-
0000474878
-
-
Irle, S.; Lin, H. L.; Niu, J. E.; Schwarz, W. H. E. Ber. Bunsen-Ges. Phys. Chem. 1992, 96, 1545.
-
(1992)
Ber. Bunsen-Ges. Phys. Chem.
, vol.96
, pp. 1545
-
-
Irle, S.1
Lin, H.L.2
Niu, J.E.3
Schwarz, W.H.E.4
-
16
-
-
0004267938
-
-
University of Turin, Torino, Italy, and CLRC Daresbury Laboratory, Daresbury, UK
-
Saunders, V. R.; Dovesi, R.; Roetti, C.; Causa, M.; Harrison, N. M.; Orlando, R.; Zicovich-Wilson, C. M. Crystal98; University of Turin, Torino, Italy, and CLRC Daresbury Laboratory, Daresbury, UK.
-
Crystal98
-
-
Saunders, V.R.1
Dovesi, R.2
Roetti, C.3
Causa, M.4
Harrison, N.M.5
Orlando, R.6
Zicovich-Wilson, C.M.7
-
17
-
-
0041444629
-
-
CNR-CSRSRC, Milano, Italy
-
Gatti, C. TOPOND96; CNR-CSRSRC, Milano, Italy.
-
TOPOND96
-
-
Gatti, C.1
-
20
-
-
23544470253
-
-
Maksic, Z. B.; Kovacek, D.; Vidic, B. Chem. Phys. Lett. 1986, 129, 619.
-
(1986)
Chem. Phys. Lett.
, vol.129
, pp. 619
-
-
Maksic, Z.B.1
Kovacek, D.2
Vidic, B.3
-
21
-
-
0036628549
-
-
Gironés, X.; Amat, L.; Carbó-Dorca, R. J. Chem. Inf. Comput. Sci. 2002, 42, 847.
-
(2002)
J. Chem. Inf. Comput. Sci.
, vol.42
, pp. 847
-
-
Gironés, X.1
Amat, L.2
Carbó-Dorca, R.3
-
22
-
-
0001425721
-
-
Kostrowicki, J.; Piela, L.; Cherayil, B. J.; Scheraga, H. A. J. Phys. Chem. 1991, 95, 4113.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 4113
-
-
Kostrowicki, J.1
Piela, L.2
Cherayil, B.J.3
Scheraga, H.A.4
-
23
-
-
4944254931
-
-
Mastorakis, N., Ed.; World Scientific Engineering Society: Athens
-
Leherte, L.; Meurice, N.; Vercauteren, D. P. In Mathematics and Computers in Modern Science. Acoustics and Music, Biology and Chemistry, Business and Economics; Mastorakis, N., Ed.; World Scientific Engineering Society: Athens, 2000; p 158.
-
(2000)
Mathematics and Computers in Modern Science. Acoustics and Music, Biology and Chemistry, Business and Economics
, pp. 158
-
-
Leherte, L.1
Meurice, N.2
Vercauteren, D.P.3
-
25
-
-
0042721932
-
-
van de Waterbeemd, H.; Testa, B.; Folkers, G., Eds.; Verlag: Basel
-
Meurice, N.; Leherte, L.; Vercauteren, D. P.; Bourguignon, J.-J.; Wermuth, C. In Computer-Assisted Lead Finding and Optimization; van de Waterbeemd, H.; Testa, B.; Folkers, G., Eds.; Verlag: Basel, 1997; p 497.
-
(1997)
Computer-Assisted Lead Finding and Optimization
, pp. 497
-
-
Meurice, N.1
Leherte, L.2
Vercauteren, D.P.3
Bourguignon, J.-J.4
Wermuth, C.5
-
26
-
-
0031601522
-
-
Devillers, J., Ed.; OPA: Amsterdam
-
Meurice, N.; Leherte, L.; Vercauteren, D. P. In SAR and QSAR in Environmental Research; Devillers, J., Ed.; OPA: Amsterdam, 1998; p 195.
-
(1998)
SAR and QSAR in Environmental Research
, pp. 195
-
-
Meurice, N.1
Leherte, L.2
Vercauteren, D.P.3
-
27
-
-
0007189044
-
-
Chemistry Division, Oak Ridge National Laboratory, Oak Ridge, TN
-
Johnson, C. K. ORCRIT. The Oak Ridge Critical Point Network Program, Chemistry Division, Oak Ridge National Laboratory, Oak Ridge, TN, 1977.
-
(1977)
ORCRIT. The Oak Ridge Critical Point Network Program
-
-
Johnson, C.K.1
-
29
-
-
33751391841
-
-
Takahashi, Y.; Sukekawa, M.; Sasaki, S.-I. J. Chem. Inf. Comput. Sci. 1992, 32, 639.
-
(1992)
J. Chem. Inf. Comput. Sci.
, vol.32
, pp. 639
-
-
Takahashi, Y.1
Sukekawa, M.2
Sasaki, S.-I.3
-
31
-
-
84974682768
-
-
Zighed, D. A., Komorowski, J., Zytkow, J., Eds.; Springer-Verlag: Berlin
-
Dury, L.; Leherte, L.; Vercauteren, D. P. In Principles of Data Mining and Knowledge Discovery; Zighed, D. A., Komorowski, J., Zytkow, J., Eds.; Springer-Verlag: Berlin, 2000; p 388.
-
(2000)
Principles of Data Mining and Knowledge Discovery
, pp. 388
-
-
Dury, L.1
Leherte, L.2
Vercauteren, D.P.3
-
32
-
-
0035526140
-
-
Dury, L.; Latour, T.; Leherte, L.; Barberis, F.; Vercauteren, D. P. J. Chem. Inf. Comput. Sci. 2001, 41, 1437.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 1437
-
-
Dury, L.1
Latour, T.2
Leherte, L.3
Barberis, F.4
Vercauteren, D.P.5
-
33
-
-
0023401741
-
-
Gillet, V. J.; Downs, G. M.; Ling, A.; Lynch, M. F.; Venkataram, P.; Wood, J. V.; Dethlefsen, W. J. Chem. Inf. Comput. Sci. 1987, 27, 126.
-
(1987)
J. Chem. Inf. Comput. Sci.
, vol.27
, pp. 126
-
-
Gillet, V.J.1
Downs, G.M.2
Ling, A.3
Lynch, M.F.4
Venkataram, P.5
Wood, J.V.6
Dethlefsen, W.7
-
34
-
-
0000145750
-
-
Gillet, V. J.; Downs, G. M.; Holliday, J. D.; Lynch, M. F.; Dethlefsen, W. J. Chem. Inf. Comput. Sci. 1991, 31, 260.
-
(1991)
J. Chem. Inf. Comput. Sci.
, vol.31
, pp. 260
-
-
Gillet, V.J.1
Downs, G.M.2
Holliday, J.D.3
Lynch, M.F.4
Dethlefsen, W.5
-
35
-
-
0034181713
-
-
Leherte, L.; Meurice, N.; Vercauteren, D. P. J. Chem. Inf. Comput. Sci. 2000, 40, 816.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 816
-
-
Leherte, L.1
Meurice, N.2
Vercauteren, D.P.3
-
37
-
-
0344326672
-
-
Coefficients and exponents can be seen and downloaded from the Web site: http://iqc.udg.es/cat/similarity/ASA/funcset.html.
-
-
-
-
38
-
-
0034506441
-
-
Leung, Y.; Zhang, J.-S.; Xu, Z.-B. IEEE Trans. Pattern Anal. Machine Intelligence 2000, 22, 1396.
-
(2000)
IEEE Trans. Pattern Anal. Machine Intelligence
, vol.22
, pp. 1396
-
-
Leung, Y.1
Zhang, J.-S.2
Xu, Z.-B.3
-
39
-
-
0344758735
-
-
Indiana University; Web form at http://iubio.bio.indiana.edu/treeapp/treeprint-form.html
-
Gilbert, D. G. Phylodendron, for Drawing Phylogenetic Trees, Version 0.8d; Indiana University, 1996. Software at http://iubio.bio.indiana.edu/soft/molbio/java/apps/trees/, Web form at http://iubio.bio.indiana.edu/treeapp/treeprint-form.html.
-
(1996)
Phylodendron, for Drawing Phylogenetic Trees, Version 0.8d
-
-
Gilbert, D.G.1
-
40
-
-
0345189109
-
-
Facultés Universitaires Notre-Dame de la Paix, Namur, Belgium
-
Dury, L. DENDRO, Facultés Universitaires Notre-Dame de la Paix, Namur, Belgium, 2002.
-
(2002)
DENDRO
-
-
Dury, L.1
-
41
-
-
0345189110
-
-
Web site: http://www.borland.com.
-
-
-
-
43
-
-
0345621237
-
-
Unpublished results
-
Meurice, N.; Norberg, B.; Durant, F.; Didier, B.; Bourguignon, J.-J.; Vercauteren, D. P. Unpublished results.
-
-
-
Meurice, N.1
Norberg, B.2
Durant, F.3
Didier, B.4
Bourguignon, J.-J.5
Vercauteren, D.P.6
-
44
-
-
0000905113
-
-
Nissink, J. W. M.; Verdonk, M. L.; Kroon, J.; Mietzner, T.; Klebe, G. J. Comput. Chem. 1997, 18, 638.
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 638
-
-
Nissink, J.W.M.1
Verdonk, M.L.2
Kroon, J.3
Mietzner, T.4
Klebe, G.5
-
45
-
-
0026465007
-
-
Brandstetter, H.; Turk, D.; Hoeffken, H. W.; Grosse, D.; Stürzebecher, J.; Martin, P. D.; Edwards, B. F. P.; Bode, W. J. Mol. Biol. 1992, 226, 1085.
-
(1992)
J. Mol. Biol.
, vol.226
, pp. 1085
-
-
Brandstetter, H.1
Turk, D.2
Hoeffken, H.W.3
Grosse, D.4
Stürzebecher, J.5
Martin, P.D.6
Edwards, B.F.P.7
Bode, W.8
-
46
-
-
0033954256
-
-
Berman, H. M.; Westbrook, J.; Feng, Z.; Gilliland, G.; Bhat, T. N.; Weissig, H.; Shindyalov, I. N.; Bourne, P. E. Nucl. Acids Res. 2000, 28, 235. Web site: http://www.rcsb.org/pdb/.
-
(2000)
Nucl. Acids Res.
, vol.28
, pp. 235
-
-
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
-
47
-
-
0007190220
-
-
Molecular Simulation Inc., San Diego CA
-
Insight II, Version 4.0.0, Molecular Simulation Inc., San Diego CA, 1998.
-
Insight II, Version 4.0.0
-
-
-
49
-
-
0030534377
-
-
Lipkowitz, K., Boyd, D. B., Eds.; VCH Publishers: New York
-
Downs, G. M.; Willett, P. In Reviews in Computational Chemistry; Lipkowitz, K., Boyd, D. B., Eds.; VCH Publishers: New York, 1996; Vol. 7, p 1.
-
(1996)
Reviews in Computational Chemistry
, vol.7
, pp. 1
-
-
Downs, G.M.1
Willett, P.2
-
50
-
-
0030521035
-
-
Lipkowitz, K., Boyd, D. B., Eds.; VCH Publishers: New York
-
Arteca, G. A. In Reviews in Computational Chemistry; Lipkowitz, K., Boyd, D. B., Eds.; VCH Publishers: New York, 1996; Vol. 9, p 191.
-
(1996)
Reviews in Computational Chemistry
, vol.9
, pp. 191
-
-
Arteca, G.A.1
-
51
-
-
0041903759
-
-
Bultinck, P.; Carbó-Dorca, R.; Van Alsenoy, Ch. J. Chem. Inf. Comput. Sci. 2003, 43, 1208.
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, pp. 1208
-
-
Bultinck, P.1
Carbó-Dorca, R.2
Van Alsenoy, Ch.3
-
52
-
-
0000594925
-
-
Piela, L.; Kostrowicki, J.; Scheraga, H. A. J. Phys. Chem. 1989, 93, 3339.
-
(1989)
J. Phys. Chem.
, vol.93
, pp. 3339
-
-
Piela, L.1
Kostrowicki, J.2
Scheraga, H.A.3
|