-
1
-
-
0023751431
-
Comparative molecular field analysis (CoMFA): 1. Effect of shape on binding of steroids to carrier proteins
-
Cramer, R. D.; Patterson, D. E.; Bunce, J. D. Comparative molecular field analysis (CoMFA): 1. Effect of shape on binding of steroids to carrier proteins. J. Am. Chem. Soc. 1988, 110, 5959-5967.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 5959-5967
-
-
Cramer, R.D.1
Patterson, D.E.2
Bunce, J.D.3
-
2
-
-
0344609886
-
-
Kubinyi, H., Folkers, G., Martin, Y. C., Ed.; Kluwer: Dordrecht, The Netherlands
-
Norinder, U. Recent Progress in CoMFA Methodology and Related Developments; Kubinyi, H., Folkers, G., Martin, Y. C., Ed.; Kluwer: Dordrecht, The Netherlands, 1998; Vol. 3, pp 41-56.
-
(1998)
Recent Progress in CoMFA Methodology and Related Developments
, vol.3
, pp. 41-56
-
-
Norinder, U.1
-
3
-
-
0001505364
-
Superimposing several sets of atomic coordinates
-
Gerber, P. R. M.; Muller, K. Superimposing several sets of atomic coordinates. Acta Crystallogr. 1987, A43, 426-428.
-
(1987)
Acta Crystallogr.
, vol.A43
, pp. 426-428
-
-
Gerber, P.R.M.1
Muller, K.2
-
4
-
-
0034065350
-
Computational methods for the structural alignment of molecules
-
Lemmen, C.; Lengauer, T. Computational methods for the structural alignment of molecules. J. Comput-Aided Mol. Des. 2000, 14, 215-232.
-
(2000)
J. Comput-Aided Mol. Des.
, vol.14
, pp. 215-232
-
-
Lemmen, C.1
Lengauer, T.2
-
5
-
-
44949267284
-
An alternaitve method for the alignment of molecular structures: Maximizing electrostatic and steric overlap
-
Kearsley, S. An alternaitve method for the alignment of molecular structures: maximizing electrostatic and steric overlap. Tetrahedron Comput. Method. 1990, 3, 615-663.
-
(1990)
Tetrahedron Comput. Method.
, vol.3
, pp. 615-663
-
-
Kearsley, S.1
-
6
-
-
0037431383
-
Field interaction and geometrical overlap: A new simplex and experimental design based computational procedure for superposing small ligand molecules
-
Melani, F.; Gratteri, P.; Adamo, M.; Bonaccini, C. Field interaction and geometrical overlap: A new simplex and experimental design based computational procedure for superposing small ligand molecules. J. Med. Chem. 2003, 46, 1359-1371.
-
(2003)
J. Med. Chem.
, vol.46
, pp. 1359-1371
-
-
Melani, F.1
Gratteri, P.2
Adamo, M.3
Bonaccini, C.4
-
8
-
-
0001851799
-
The interpretation of generalized Procrustes analysis and allied methods
-
Dijksterhuis, G. B. G.; Gower, J. C. The interpretation of generalized Procrustes analysis and allied methods. Food Qua. Prefer. 1992-3, 3, 67-87.
-
(1992)
Food Qua. Prefer.
, vol.3
, pp. 67-87
-
-
Dijksterhuis, G.B.G.1
Gower, J.C.2
-
10
-
-
0001886818
-
Generalized Procrustes analysis
-
Gower, J. C. Generalized Procrustes analysis. Psychometrica 1975, 40, 33-51.
-
(1975)
Psychometrica
, vol.40
, pp. 33-51
-
-
Gower, J.C.1
-
12
-
-
0028136320
-
The use of Procrustes analysis to compare different property sets for the characterization of a diverse set of compounds
-
Rose, F. S.; Rahr, E.; Hudson, B. D. The use of Procrustes analysis to compare different property sets for the characterization of a diverse set of compounds. QSAR 1994, 13, 152-158.
-
(1994)
QSAR
, vol.13
, pp. 152-158
-
-
Rose, F.S.1
Rahr, E.2
Hudson, B.D.3
-
13
-
-
0344178223
-
AnBlisi de Procrustes i alineament molecular
-
Robert, D.; Carbo-Dorca, R. AnBlisi de Procrustes i alineament molecular. Scientia Gerundensis 1999, 24, 175-181.
-
(1999)
Scientia Gerundensis
, vol.24
, pp. 175-181
-
-
Robert, D.1
Carbo-Dorca, R.2
-
15
-
-
0010565266
-
Partial molecular alignment via local structure analysis
-
Robinson, D. D.; Lyne, P. D.; Richards, W. G. Partial molecular alignment via local structure analysis. J. Chem. Inf. Comput. Sci. 2000, 40, 503-512.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 503-512
-
-
Robinson, D.D.1
Lyne, P.D.2
Richards, W.G.3
-
16
-
-
0036191820
-
An analysis of the binding of cocaine analogues to the monoamine transporters using tensor decomposition 3D-QSAR
-
Appell, A.; Dunn III, W. J.; Reith, M. E. A.; Miller, L.; Flippen-Anderson, J. L. An analysis of the binding of cocaine analogues to the monoamine transporters using tensor decomposition 3D-QSAR. Bioorg. Med. Chem. 2002, 20, 1197-1206.
-
(2002)
Bioorg. Med. Chem.
, vol.20
, pp. 1197-1206
-
-
Appell, A.1
Dunn III, W.J.2
Reith, M.E.A.3
Miller, L.4
Flippen-Anderson, J.L.5
-
17
-
-
0036270974
-
NMR study of conformational preferences of inhibitors of monoamine uptake
-
Appell, M.; Krunic, A.; Choi, T. J.; Mariappan, S.; Dunn III, W. J.; Reith, M. E. A. NMR study of conformational preferences of inhibitors of monoamine uptake. QSAR 2002, 21, 38-40.
-
(2002)
QSAR
, vol.21
, pp. 38-40
-
-
Appell, M.1
Krunic, A.2
Choi, T.J.3
Mariappan, S.4
Dunn III, W.J.5
Reith, M.E.A.6
-
18
-
-
0000798755
-
Application of a universal force field to organic molecules
-
Casewit, C. J.; Colwell, K. S.; Rappé, A. K. Application of a universal force field to organic molecules. J. Am. Chem. Soc. 1992, 114, 10035-10046.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 10035-10046
-
-
Casewit, C.J.1
Colwell, K.S.2
Rappé, A.K.3
-
19
-
-
33748481964
-
Charge equilibrium for molecular dynamic simulations
-
Rappé, A. K.; Goddard W. A. Charge equilibrium for molecular dynamic simulations. J. Phys. Chem. 1991, 95, 3358-3363.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 3358-3363
-
-
Rappé, A.K.1
Goddard, W.A.2
|