-
1
-
-
0036094012
-
Proteo-chemometrics analysis of MSH peptide binding to melanocortin receptors
-
Prusis P, Lundstedt T, Wikberg JE: Proteo-chemometrics analysis of MSH peptide binding to melanocortin receptors. Protein Eng 2002, 15:305-311.
-
(2002)
Protein Eng.
, vol.15
, pp. 305-311
-
-
Prusis, P.1
Lundstedt, T.2
Wikberg, J.E.3
-
2
-
-
0036264678
-
Proteochemometrics modeling of the interaction of amine G-protein coupled receptors with a diverse set of ligands
-
Lapinsh M, Prusis P, Lundstedt T, Wikberg JE: Proteochemometrics modeling of the interaction of amine G-protein coupled receptors with a diverse set of ligands. Mol Pharmacol 2002, 61:1465-1475.
-
(2002)
Mol. Pharmacol.
, vol.61
, pp. 1465-1475
-
-
Lapinsh, M.1
Prusis, P.2
Lundstedt, T.3
Wikberg, J.E.4
-
3
-
-
0037713340
-
Melanocortin receptors: Ligands and proteochemometrics modeling
-
Wikberg JE, Mutulis F, Mutule I, Veiksina S, Lapinsh M, Petrovska R, Prusis P: Melanocortin receptors: ligands and proteochemometrics modeling. Ann N Y Acad Sci 2003, 994:21-26.
-
(2003)
Ann. N. Y. Acad. Sci.
, vol.994
, pp. 21-26
-
-
Wikberg, J.E.1
Mutulis, F.2
Mutule, I.3
Veiksina, S.4
Lapinsh, M.5
Petrovska, R.6
Prusis, P.7
-
6
-
-
0032456780
-
Thermodynamic analysis of protein interactions with biosensor technology
-
Roos H, Karlsson R, Nilshans H, Persson A: Thermodynamic analysis of protein interactions with biosensor technology. J Mol Recognit 1998, 11:204-210.
-
(1998)
J. Mol. Recognit.
, vol.11
, pp. 204-210
-
-
Roos, H.1
Karlsson, R.2
Nilshans, H.3
Persson, A.4
-
7
-
-
0345035207
-
Kinetic characterization of the interaction of the Z-fragment of protein A with mouse-IgG3 in a volume in chemical space
-
Andersson K, Gulich S, Hamalainen M, Nygren PA, Hober S, Malmqvist M: Kinetic characterization of the interaction of the Z-fragment of protein A with mouse-IgG3 in a volume in chemical space. Proteins 1999, 37:494-498.
-
(1999)
Proteins
, vol.37
, pp. 494-498
-
-
Andersson, K.1
Gulich, S.2
Hamalainen, M.3
Nygren, P.A.4
Hober, S.5
Malmqvist, M.6
-
8
-
-
0035097167
-
Predicting the kinetics of peptide-antibody interactions using a multivariate experimental design of sequence and chemical space
-
Andersson K, Choulier L, Hämäläinen MD, Van Regenmortel MH, Altschuh D, Malmqvist M: Predicting the kinetics of peptide-antibody interactions using a multivariate experimental design of sequence and chemical space. J Mol Recognit 2001, 14:62-71.
-
(2001)
J. Mol. Recognit.
, vol.14
, pp. 62-71
-
-
Andersson, K.1
Choulier, L.2
Hämäläinen, M.D.3
Van Regenmortel, M.H.4
Altschuh, D.5
Malmqvist, M.6
-
9
-
-
0037380787
-
Structural Modeling Extends QSAR Analysis of Antibody-Lysozyme Interactions to 3D-QSAR
-
Freyhult EK, Andersson K, Gustafsson MG: Structural Modeling Extends QSAR Analysis of Antibody-Lysozyme Interactions to 3D-QSAR. Biophys J 2003, 84:2264-2272.
-
(2003)
Biophys. J.
, vol.84
, pp. 2264-2272
-
-
Freyhult, E.K.1
Andersson, K.2
Gustafsson, M.G.3
-
10
-
-
84942484786
-
Ridge Regression: Biased estimation for non-orthogonal problems
-
Hoerl A, Kennard R: Ridge Regression: biased estimation for non-orthogonal problems. Technomoetrics 1970, 12:55-67.
-
(1970)
Technomoetrics
, vol.12
, pp. 55-67
-
-
Hoerl, A.1
Kennard, R.2
-
11
-
-
11144325691
-
Partial least-squares regression: A tutorial
-
Geladi P, Kowalski B: Partial least-squares regression: A tutorial. Anal Chim Acta 1986, 185:1-17.
-
(1986)
Anal. Chim. Acta
, vol.185
, pp. 1-17
-
-
Geladi, P.1
Kowalski, B.2
-
12
-
-
85162676194
-
PLS regression methods
-
Höskuldsson A: PLS regression methods. J Chemom 1988, 2:211-228.
-
(1988)
J. Chemom.
, vol.2
, pp. 211-228
-
-
Höskuldsson, A.1
-
13
-
-
0035272953
-
A probabilistic derivation of the partial least-squares algorithm
-
Gustafsson MG: A probabilistic derivation of the partial least-squares algorithm. J Chem Inf Comput Sci 2001, 41:288-294.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 288-294
-
-
Gustafsson, M.G.1
-
15
-
-
84987083710
-
Validation of QSAR's
-
Wold S: Validation of QSAR's. Quant Struct Act Relat 1991, 310:191-193.
-
(1991)
Quant. Struct. Act Relat.
, vol.310
, pp. 191-193
-
-
Wold, S.1
-
16
-
-
0029000922
-
Prediction of drug binding affinities by comparative binding energy analysis
-
Ortiz AR, Pisabarro MT, Gago F, Wade RC: Prediction of drug binding affinities by comparative binding energy analysis. J Med Chem 1995, 38:2681-2691.
-
(1995)
J. Med. Chem.
, vol.38
, pp. 2681-2691
-
-
Ortiz, A.R.1
Pisabarro, M.T.2
Gago, F.3
Wade, R.C.4
-
17
-
-
0027310371
-
Generating Optimal Linear PLS Estimations (GOLPE): An Advanced Chemometric Tool for Handling 3D-QSAR Problems
-
Baroni M, Costantino G, Cruciani G, Riganelli D, Valigi R, Clementi S: Generating Optimal Linear PLS Estimations (GOLPE): An Advanced Chemometric Tool for Handling 3D-QSAR Problems. Quant Struct - Act Relat 1993, 12:9-20.
-
(1993)
Quant. Struct. - Act. Relat.
, vol.12
, pp. 9-20
-
-
Baroni, M.1
Costantino, G.2
Cruciani, G.3
Riganelli, D.4
Valigi, R.5
Clementi, S.6
-
18
-
-
0030892498
-
Reliability of Comparative Molecular Field Analysis Models: Effects of Data Scaling and Variable Selection Using a Set of Human Synovial Fluid Phospholipase A2 Inhibitors
-
Ortiz A, Pator M, Palomer A, Cruciani G, Gago F, Wade R: Reliability of Comparative Molecular Field Analysis Models: Effects of Data Scaling and Variable Selection Using a Set of Human Synovial Fluid Phospholipase A2 Inhibitors. J Med Chem 1997, 40:1136-1148.
-
(1997)
J. Med. Chem.
, vol.40
, pp. 1136-1148
-
-
Ortiz, A.1
Pator, M.2
Palomer, A.3
Cruciani, G.4
Gago, F.5
Wade, R.6
-
19
-
-
0029655006
-
Cross-Validated R2-Guided Region Selection for Comparative Molecular Field Analysis: A Simple Method To Achieve Consistent Results
-
Cho S, Tropsha A: Cross-Validated R2-Guided Region Selection for Comparative Molecular Field Analysis: A Simple Method To Achieve Consistent Results. J Med Chem 1995, 38:1060-1066.
-
(1995)
J. Med. Chem.
, vol.38
, pp. 1060-1066
-
-
Cho, S.1
Tropsha, A.2
-
20
-
-
13044300880
-
Quantitative structure-activity relationship modeling of dopamine D(1) antagonists using comparative molecular field analysis, genetic algorithms-partial least-squares, and K nearest neighbor methods
-
Hoffman B, Cho S, Zheng W, Wyrick S, Nichols D, Mailman R, Tropsha A: Quantitative structure-activity relationship modeling of dopamine D(1) antagonists using comparative molecular field analysis, genetic algorithms-partial least-squares, and K nearest neighbor methods. J Med Chem 1999, 42(17):3217-26.
-
(1999)
J. Med. Chem.
, vol.42
, Issue.17
, pp. 3217-3226
-
-
Hoffman, B.1
Cho, S.2
Zheng, W.3
Wyrick, S.4
Nichols, D.5
Mailman, R.6
Tropsha, A.7
-
22
-
-
0037076322
-
Selection bias in gene extraction on the basis of microarray gene-expression data
-
Ambroise C, McLachlan GJ: Selection bias in gene extraction on the basis of microarray gene-expression data. Proc Natl Acad Sci USA 2002, 99:6562-6566.
-
(2002)
Proc. Natl. Acad. Sci. USA
, vol.99
, pp. 6562-6566
-
-
Ambroise, C.1
McLachlan, G.J.2
-
23
-
-
0035895752
-
Development of proteo-chemometrics: A novel technology for the analysis of drug-receptor interactions
-
Lapinsh M, Prusis P, Gutcaits A, Lundstedt T, Wikberg JE: Development of proteo-chemometrics: a novel technology for the analysis of drug-receptor interactions. Biochim Biophys Acta 2001, 1525:180-190.
-
(2001)
Biochim. Biophys. Acta
, vol.1525
, pp. 180-190
-
-
Lapinsh, M.1
Prusis, P.2
Gutcaits, A.3
Lundstedt, T.4
Wikberg, J.E.5
-
24
-
-
0032554655
-
Alpha 1-adreneric receptor subtype determinants for 4-piperidyl oxazole antagonists
-
Hamaguchi N, True T, Goetz A, Stouffer M, Lybrand T, Jeffs P: Alpha 1-adreneric receptor subtype determinants for 4-piperidyl oxazole antagonists. Biochemistry 1998, 37:5730-5737.
-
(1998)
Biochemistry
, vol.37
, pp. 5730-5737
-
-
Hamaguchi, N.1
True, T.2
Goetz, A.3
Stouffer, M.4
Lybrand, T.5
Jeffs, P.6
-
25
-
-
0003404132
-
-
(PCA & PLS) Umetrics, Umeå, Sweden
-
Eriksson L, Johansson E, Kettaneh-Wold N, Wold S: Introduction to Multi- and Magavariate Data Analysis using Projection Methods (PCA & PLS) Umetrics, Umeå, Sweden; 1999.
-
(1999)
Introduction to Multi- and Magavariate Data Analysis Using Projection Methods
-
-
Eriksson, L.1
Johansson, E.2
Kettaneh-Wold, N.3
Wold, S.4
-
26
-
-
0034710718
-
GRid-INdependent descriptors (GRIND): A novel class of alignment-independent three-dimensional molecular descriptors
-
Pastor M, Cruciani G, McLay I, Pickett S, Clementi S: GRid-INdependent descriptors (GRIND): a novel class of alignment-independent three-dimensional molecular descriptors. J Med Chem 2000, 43:3233-3243.
-
(2000)
J. Med. Chem.
, vol.43
, pp. 3233-3243
-
-
Pastor, M.1
Cruciani, G.2
McLay, I.3
Pickett, S.4
Clementi, S.5
|