-
1
-
-
0000610485
-
MS-WHIM scores for amino acids: A new 3D-description for peptide QSAR and QSPR studies
-
A. Zaliani and E. Gancia, MS-WHIM scores for amino acids: A new 3D-description for peptide QSAR and QSPR studies, J. Chem. Inf. Comput. Sci. 39 (1999), pp. 525-533.
-
(1999)
J. Chem. Inf. Comput. Sci
, vol.39
, pp. 525-533
-
-
Zaliani, A.1
Gancia, E.2
-
2
-
-
80051815394
-
QSAR modeling of peptide biological activity by coupling support vector machine with particle swarm optimization algorithm and genetic algorithm
-
X. Zhou, Z.C. Li, Z. Dai, and X.Y. Zou, QSAR modeling of peptide biological activity by coupling support vector machine with particle swarm optimization algorithm and genetic algorithm, J. Mol. Graph. Model. 10 (2010), pp. 1016-1024.
-
(2010)
J. Mol. Graph. Model
, vol.10
, pp. 1016-1024
-
-
Zhou, X.1
Li, Z.C.2
Dai, Z.3
Zou, X.Y.4
-
3
-
-
4444340522
-
A novel MHDV descriptor for dipeptide QSAR studies
-
S.S. Liu, C.S. Yin, S.X. Cai, and Z.L. Li, A novel MHDV descriptor for dipeptide QSAR studies, J. Chin. Chem. Soc. 48 (2001), pp. 253-260.
-
(2001)
J. Chin. Chem. Soc
, vol.48
, pp. 253-260
-
-
Liu, S.S.1
Yin, C.S.2
Cai, S.X.3
Li, Z.L.4
-
4
-
-
0033087210
-
Topological shape and size of peptides: Identification of potential allele specific helper T cell antigenic sites
-
C. Raychaudhury, A. Banerjee, P. Bag, and S. Roy, Topological shape and size of peptides: Identification of potential allele specific helper T cell antigenic sites, J. Chem. Inf. Comput. Sci. 39 (1999), pp. 248-254.
-
(1999)
J. Chem. Inf. Comput. Sci
, vol.39
, pp. 248-254
-
-
Raychaudhury, C.1
Banerjee, A.2
Bag, P.3
Roy, S.4
-
5
-
-
0013965569
-
Relations between chemical structure and biological activity in peptides
-
P.H. Sneath, Relations between chemical structure and biological activity in peptides, J. Theor. Biol. 12 (1966), pp. 157-195.
-
(1966)
J. Theor. Biol
, vol.12
, pp. 157-195
-
-
Sneath, P.H.1
-
6
-
-
0021931978
-
A statistical analysis of the physical properties of the 20 naturally occuring amino acids
-
A. Kidera, Y. Konishi, M. Oka, T. Ooi, and H.A. Scheraga, A statistical analysis of the physical properties of the 20 naturally occuring amino acids, J. Protein Chem. 4 (1985), pp. 23-55.
-
(1985)
J. Protein Chem
, vol.4
, pp. 23-55
-
-
Kidera, A.1
Konishi, Y.2
Oka, M.3
Ooi, T.4
Scheraga, H.A.5
-
7
-
-
0022636036
-
The prediction of bradykinin potentiating potency of pentapeptides. An example of a peptide quantitative structure-activity relationship
-
S. Hellberg, M. Sjostrom, and S. Wold, The prediction of bradykinin potentiating potency of pentapeptides. An example of a peptide quantitative structure-activity relationship, J. Acta hem. Scand. B. 40 (1986), pp. 135-140.
-
(1986)
J. Acta Hem. Scand. B
, vol.40
, pp. 135-140
-
-
Hellberg, S.1
Sjostrom, M.2
Wold, S.3
-
8
-
-
0023192524
-
Peptide quantitative structure-activity relationships, a multivariate approach
-
S. Hellberg, M. Sjostrom, B. Skagerberg, and S. Wold, Peptide quantitative structure-activity relationships, a multivariate approach, J. Med. Chem. 30 (1987), pp. 1126-1135.
-
(1987)
J. Med. Chem
, vol.30
, pp. 1126-1135
-
-
Hellberg, S.1
Sjostrom, M.2
Skagerberg, B.3
Wold, S.4
-
9
-
-
0023232669
-
Principal property values for six non-natural amino acids and their application to a structureactivity relationship for oxytocin peptide analogues
-
S. Wold, L. Eriksson, S. Hellberg, J. Jonsson, M. Sjostrom, B. Skagerberg, and C. Wikstrom, Principal property values for six non-natural amino acids and their application to a structureactivity relationship for oxytocin peptide analogues, Can. J. Chem. 65 (1987), pp. 1814-1820.
-
(1987)
Can. J. Chem
, vol.65
, pp. 1814-1820
-
-
Wold, S.1
Eriksson, L.2
Hellberg, S.3
Jonsson, J.4
Sjostrom, M.5
Skagerberg, B.6
Wikstrom, C.7
-
10
-
-
0024425633
-
Multivariate parameterization of 55 coded and non-coded amino acids
-
J. Jonsson, L. Eriksson, S. Hellberg, M. Sjostrom, and S. Wold, Multivariate parameterization of 55 coded and non-coded amino acids, Quant. Strut. Act. Relat. 8 (1989), pp. 204-209.
-
(1989)
Quant. Strut. Act. Relat
, vol.8
, pp. 204-209
-
-
Jonsson, J.1
Eriksson, L.2
Hellberg, S.3
Sjostrom, M.4
Wold, S.5
-
11
-
-
0025811052
-
Minimum analogue peptide sets (MAPS) for quantitative structure-activity relationships
-
S. Hellberg, L. Eriksson, J. Jonsson, F. Lindgren, M. Sjostrom, B. Skagerberg, S. Wold, and P. Andrews, Minimum analogue peptide sets (MAPS) for quantitative structure-activity relationships, Int. J. Pept. Protein Res. 37 (1991), pp. 414-424.
-
(1991)
Int. J. Pept. Protein Res
, vol.37
, pp. 414-424
-
-
Hellberg, S.1
Eriksson, L.2
Jonsson, J.3
Lindgren, F.4
Sjostrom, M.5
Skagerberg, B.6
Wold, S.7
Andrews, P.8
-
12
-
-
0032474777
-
New chemical descriptors for the design of biologically active peptides. A multivariate characterization of 87 amino acids
-
M. Sandberg, L. Eriksson, J. Jonsson, M. Sjöström, and S. Wold, New chemical descriptors for the design of biologically active peptides. A multivariate characterization of 87 amino acids, J. Med. Chem. 41 (1998), pp. 2481-2491.
-
(1998)
J. Med. Chem
, vol.41
, pp. 2481-2491
-
-
Sandberg, M.1
Eriksson, L.2
Jonsson, J.3
Sjöström, M.4
Wold, S.5
-
13
-
-
33846822139
-
T-scale as a novel vector of topological descriptors for amino acids and its application in QSARs of peptides
-
F.F. Tian, P. Zhou, and Z.L. Li, T-scale as a novel vector of topological descriptors for amino acids and its application in QSARs of peptides, J. Mol. Struct. 830 (2007), pp. 106-115.
-
(2007)
J. Mol. Struct
, vol.830
, pp. 106-115
-
-
Tian, F.F.1
Zhou, P.2
Li, Z.L.3
-
14
-
-
52049120108
-
New descriptors of amino acids and their application to peptide QSAR study
-
Z.H. Lin, H.X. Long, Z. Bo, Y.Q. Wang, and Y.Z. Wu, New descriptors of amino acids and their application to peptide QSAR study, J. Peptides 29 (2008), pp. 1798-1805.
-
(2008)
J. Peptides
, vol.29
, pp. 1798-1805
-
-
Lin, Z.H.1
Long, H.X.2
Bo, Z.3
Wang, Y.Q.4
Wu, Y.Z.5
-
15
-
-
67949103700
-
DFT study on the bromination pattern dependence of electronic properties and their validity in quantitative structure-activity relationships of polybrominated diphenyl ethers
-
C.G. Gu, X.H. Ju, X. Jiang, F. Wang, S.G. Yang, and C. Sun, DFT study on the bromination pattern dependence of electronic properties and their validity in quantitative structure-activity relationships of polybrominated diphenyl ethers, SAR QSAR Environ. Res. 20 (2009), pp. 287-307.
-
(2009)
SAR QSAR Environ. Res
, vol.20
, pp. 287-307
-
-
Gu, C.G.1
Ju, X.H.2
Jiang, X.3
Wang, F.4
Yang, S.G.5
Sun, C.6
-
16
-
-
77951471715
-
QSAR with quantum topological molecular similarity indices: Toxicity of aromatic aldehydes to Tetrahymena pyriformis
-
S. Kar, A.P. Harding, K. Roy, and P.L.A. Popelier, QSAR with quantum topological molecular similarity indices: Toxicity of aromatic aldehydes to Tetrahymena pyriformis, SAR QSAR Environ. Res. 21 (2010), pp. 149-168.
-
(2010)
SAR QSAR Environ. Res
, vol.21
, pp. 149-168
-
-
Kar, S.1
Harding, A.P.2
Roy, K.3
Popelier, P.L.A.4
-
17
-
-
85195043526
-
-
R. Todeschini, V. Consonni, A. Mauri and M. Pavan, Dragon-web version 5.2, 2004.
-
(2004)
Dragon-web Version
, vol.5
, pp. 2
-
-
Todeschini, R.1
Consonni, V.2
Mauri, A.3
Pavan, M.4
-
18
-
-
0035965476
-
PLS-regression: A basic tool of chemometrics
-
S. Wold, M. Sjöström, and L. Eriksson, PLS-regression: A basic tool of chemometrics, Chemom. Intell. Lab. Syst. 58 (2001), pp. 109-130.
-
(2001)
Chemom. Intell. Lab. Syst
, vol.58
, pp. 109-130
-
-
Wold, S.1
Sjöström, M.2
Eriksson, L.3
-
19
-
-
0035965479
-
Some recent developments in PLS modelling
-
S. Wold, J. Trygg, A. Berglund, and H. Antti, Some recent developments in PLS modelling, Chemom. Intell. Lab. Syst. 58 (2001), pp. 131-150.
-
(2001)
Chemom. Intell. Lab. Syst
, vol.58
, pp. 131-150
-
-
Wold, S.1
Trygg, J.2
Berglund, A.3
Antti, H.4
-
20
-
-
4444320784
-
Stochastic-based descriptors studying peptides biological properties: Modeling the bitter tasting threshold of dipeptides
-
R.R. Armas, H.G. Díaz, R. Molina, M.P. González, and E. Uriarte, Stochastic-based descriptors studying peptides biological properties: Modeling the bitter tasting threshold of dipeptides, Bioorg. Med. Chem. 12 (2004), pp. 4815-4822.
-
(2004)
Bioorg. Med. Chem
, vol.12
, pp. 4815-4822
-
-
Armas, R.R.1
Díaz, H.G.2
Molina, R.3
González, M.P.4
Uriarte, E.5
-
21
-
-
0029031962
-
Amino acid side chain descriptors for quantitative structure activity relationship studies of peptide analogues
-
E.R. Collantes and W.J. Dunn, Amino acid side chain descriptors for quantitative structure activity relationship studies of peptide analogues, J. Med. Chem. 38 (1995), pp. 2705-2713.
-
(1995)
J. Med. Chem
, vol.38
, pp. 2705-2713
-
-
Collantes, E.R.1
Dunn, W.J.2
-
22
-
-
33750409705
-
New descriptors of amino acids and their applications to peptide quantitative structure activity relationship
-
G.Z. Liang, P. Zhou, Y. Zhou, Q.X. Zhang, and Z.L. Li, New descriptors of amino acids and their applications to peptide quantitative structure activity relationship, Acta Chimica Sinica. 64 (2006), pp. 393-396.
-
(2006)
Acta Chimica Sinica
, vol.64
, pp. 393-396
-
-
Liang, G.Z.1
Zhou, P.2
Zhou, Y.3
Zhang, Q.X.4
Li, Z.L.5
-
23
-
-
63849144916
-
A new 3D descriptor of amino acids and its application in quantitative structure activity relationship of peptide drugs
-
J.B. Tong and S.W. Zhang, A new 3D descriptor of amino acids and its application in quantitative structure activity relationship of peptide drugs, Acta Phys. Chim. Sin. 23 (2007), pp. 43-47.
-
(2007)
Acta Phys. Chim. Sin
, vol.23
, pp. 43-47
-
-
Tong, J.B.1
Zhang, S.W.2
-
24
-
-
0033280223
-
Peptides quantitative structure-function relationships: An automated mutation strategy to design peptides and pseudopeptides from substitution matrices
-
M. Adenot, C. Sarrauste de Menthière, A. Chavanieu, B. Calas, and G. Grassy, Peptides quantitative structure-function relationships: An automated mutation strategy to design peptides and pseudopeptides from substitution matrices, J. Mol. Graphics Mod. 17 (1999), pp. 292-309.
-
(1999)
J. Mol. Graphics Mod
, vol.17
, pp. 292-309
-
-
Adenot, M.1
Sarrauste de Menthière, C.2
Chavanieu, A.3
Calas, B.4
Grassy, G.5
-
25
-
-
0032563585
-
Preprocessing peptide sequences for multivariate sequence-property analysis
-
P.M. Andersson, M. Sjöstroöm, and T. Lundstedt, Preprocessing peptide sequences for multivariate sequence-property analysis, Chemom. Intell. Lab. Syst. 42 (1998), pp. 41-50.
-
(1998)
Chemom. Intell. Lab. Syst
, vol.42
, pp. 41-50
-
-
Andersson, P.M.1
Sjöstroöm, M.2
Lundstedt, T.3
-
26
-
-
0000189651
-
Density-functional thermochemistry. III: The role of exact exchange
-
A.D. Becke, Density-functional thermochemistry. III: The role of exact exchange, J. Chem. Phys. 98 (1993), pp. 5648-5652.
-
(1993)
J. Chem. Phys
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
27
-
-
0032196592
-
Patenting computer-designed peptides
-
S. Patel, I.P. Stott, M. Bhakko, and P. Elliott, Patenting computer-designed peptides, J. Comput.-Aided Mol. Des. 12 (1998), pp. 543-556.
-
(1998)
J. Comput.-Aided Mol. Des
, vol.12
, pp. 543-556
-
-
Patel, S.1
Stott, I.P.2
Bhakko, M.3
Elliott, P.4
|