-
1
-
-
0642367465
-
Predicting logP of pesticides using different software
-
Benfenati, E., Gini, G., Piclin, N., Roncaglioni, A., and Vari, M.R. (2003) Predicting logP of pesticides using different software. Chemosphere 53, 1155-1164.
-
(2003)
Chemosphere
, vol.53
, pp. 1155-1164
-
-
Benfenati, E.1
Gini, G.2
Piclin, N.3
Roncaglioni, A.4
Vari, M.R.5
-
2
-
-
4644255502
-
Finding and estimating chemical property data for environmental assessment
-
Boethling, R.S., Howard, P.H., and Meylan, W.M. (2004) Finding and estimating chemical property data for environmental assessment. Environ. Toxicol. Chem. 23, 2290-2308.
-
(2004)
Environ. Toxicol. Chem.
, vol.23
, pp. 2290-2308
-
-
Boethling, R.S.1
Howard, P.H.2
Meylan, W.M.3
-
3
-
-
20544433165
-
van der Waals volumes and radii
-
Bondi, A. (1964) van der Waals volumes and radii. J. Phys. Chem. 68, 441-451.
-
(1964)
J. Phys. Chem.
, vol.68
, pp. 441-451
-
-
Bondi, A.1
-
5
-
-
0022927999
-
Amino acids of the Murchison meteorite. III. Seven carbon acyclic primary alpha-amino alkanoic acids
-
Cronin, J.R. and Pizzarello, S. (1986) Amino acids of the Murchison meteorite. III. Seven carbon acyclic primary alpha-amino alkanoic acids. Geochim. Cosmochim. Acta 50, 2419-2427.
-
(1986)
Geochim. Cosmochim. Acta
, vol.50
, pp. 2419-2427
-
-
Cronin, J.R.1
Pizzarello, S.2
-
6
-
-
0019348169
-
Amino acids of the Murchison meteorite: I. Six carbon acyclic primary alpha-amino alkanoic acids
-
Cronin, J.R., Gandy, W.E., and Pizzarello, S. (1981) Amino acids of the Murchison meteorite: I. Six carbon acyclic primary alpha-amino alkanoic acids. J. Mol. Evol. 17, 265-272.
-
(1981)
J. Mol. Evol.
, vol.17
, pp. 265-272
-
-
Cronin, J.R.1
Gandy, W.E.2
Pizzarello, S.3
-
7
-
-
0022268221
-
Amino acids of the Murchison meteorite: II. Five carbon acyclic primary beta-, gamma-, and delta-amino alkanoic acids
-
Cronin, J.R., Pizzarello, S., and Yuen, G.U. (1985) Amino acids of the Murchison meteorite: II. Five carbon acyclic primary beta-, gamma-, and delta-amino alkanoic acids. Geochim. Cosmochim. Acta 49, 2259-2265.
-
(1985)
Geochim. Cosmochim. Acta
, vol.49
, pp. 2259-2265
-
-
Cronin, J.R.1
Pizzarello, S.2
Yuen, G.U.3
-
8
-
-
17044376643
-
The origin of the genetic code: Theories and their relationships, a review
-
Di Giulio, M. (2005) The origin of the genetic code: theories and their relationships, a review. Biosystems 80, 175-184.
-
(2005)
Biosystems
, vol.80
, pp. 175-184
-
-
Di Giulio, M.1
-
9
-
-
0033151954
-
Recognition of a protein fold in the context of the Structural Classification of Proteins (SCOP) classification
-
Dubchak, I., Muchnik, I., Mayor, C., Dralyuk, I., and Kim, S.H. (1999) Recognition of a protein fold in the context of the Structural Classification of Proteins (SCOP) classification. Proteins 35, 401-407.
-
(1999)
Proteins
, vol.35
, pp. 401-407
-
-
Dubchak, I.1
Muchnik, I.2
Mayor, C.3
Dralyuk, I.4
Kim, S.H.5
-
10
-
-
17044455173
-
Comparison of predictive ability of water solubility QSPR models generated by MLR, PLS and ANN methods
-
Eros, D., Keri, G., Kovesdi, I., Szantai-Kis, C., Meszaros, G., and Orfi, L. (2004) Comparison of predictive ability of water solubility QSPR models generated by MLR, PLS and ANN methods. Mini Rev. Med. Chem. 4, 167-177.
-
(2004)
Mini Rev. Med. Chem.
, vol.4
, pp. 167-177
-
-
Eros, D.1
Keri, G.2
Kovesdi, I.3
Szantai-Kis, C.4
Meszaros, G.5
Orfi, L.6
-
12
-
-
0035089141
-
Plant amino acid research in retrospect: From Chinball to Singh
-
Fowden, L. (2001) Plant amino acid research in retrospect: from Chinball to Singh. Amino Acids 20, 217-224.
-
(2001)
Amino Acids
, vol.20
, pp. 217-224
-
-
Fowden, L.1
-
13
-
-
0142135398
-
The case for an error minimizing standard genetic code
-
Freeland, S.J., Wu, T., and Keulmann, N. (2003) The case for an error minimizing standard genetic code. Orig. Life Evol. Biosph. 33, 457-477.
-
(2003)
Orig. Life Evol. Biosph.
, vol.33
, pp. 457-477
-
-
Freeland, S.J.1
Wu, T.2
Keulmann, N.3
-
14
-
-
33749000228
-
A new substituent constant, π, derived from partition coefficients
-
Fujita, T., Iwasa, J., and Hansch, C. (1964) A new substituent constant, π, derived from partition coefficients. J. Am. Chem. Soc. 86, 5175-5180.
-
(1964)
J. Am. Chem. Soc.
, vol.86
, pp. 5175-5180
-
-
Fujita, T.1
Iwasa, J.2
Hansch, C.3
-
15
-
-
0023280069
-
Calculation of electrostatic potentials in an enzyme active site
-
Gilson, M.K. and Honig, B.H. (1987) Calculation of electrostatic potentials in an enzyme active site. Nature 330, 84-86.
-
(1987)
Nature
, vol.330
, pp. 84-86
-
-
Gilson, M.K.1
Honig, B.H.2
-
16
-
-
0032619322
-
Reliable assessment of logP of compounds of pharmaceutical relevance
-
Gombar, V.K. (1999) Reliable assessment of logP of compounds of pharmaceutical relevance. SAR QSAR Environ. Res. 10, 371-380.
-
(1999)
SAR QSAR Environ. Res.
, vol.10
, pp. 371-380
-
-
Gombar, V.K.1
-
17
-
-
0016197604
-
Amino acid difference formula to help explain protein evolution
-
Grantham, R. (1974) Amino acid difference formula to help explain protein evolution. Science 185, 862-864.
-
(1974)
Science
, vol.185
, pp. 862-864
-
-
Grantham, R.1
-
18
-
-
0003452899
-
-
American Chemical Society, Washington, DC
-
Hansch, C., Leo, A., and Hoekman, D. (1995) Exploring QSAR - Hydrophobic, Electronic, and Steric Constants, American Chemical Society, Washington, DC.
-
(1995)
Exploring QSAR - Hydrophobic, Electronic, and Steric Constants
-
-
Hansch, C.1
Leo, A.2
Hoekman, D.3
-
19
-
-
0036094506
-
How selenium has altered our understanding of the genetic code
-
Hatfield, D.L. and Gladyshev, V.N. (2002) How selenium has altered our understanding of the genetic code. Mol. Cell. Biol. 22, 3565-3576.
-
(2002)
Mol. Cell. Biol.
, vol.22
, pp. 3565-3576
-
-
Hatfield, D.L.1
Gladyshev, V.N.2
-
20
-
-
2342464965
-
Some physicochemical properties of 4-amino-3,5-dinitrobenzoic acid (ADBA)
-
Idowu, S.O. and Olaniyi, A.A. (2003) Some physicochemical properties of 4-amino-3,5-dinitrobenzoic acid (ADBA). Afr. J. Med. Med. Sci. 32, 17-21.
-
(2003)
Afr. J. Med. Med. Sci.
, vol.32
, pp. 17-21
-
-
Idowu, S.O.1
Olaniyi, A.A.2
-
21
-
-
27744465375
-
Theoretical study of volume changes associated with the helix-coil transition of an alanine-rich peptide in aqueous solution
-
Imai, T., Takekiyo, T., Kovalenko, A., Hirata, F., Kato, M., and Taniguchi, Y. (2005) Theoretical study of volume changes associated with the helix-coil transition of an alanine-rich peptide in aqueous solution. Biopolymers 79, 97-105.
-
(2005)
Biopolymers
, vol.79
, pp. 97-105
-
-
Imai, T.1
Takekiyo, T.2
Kovalenko, A.3
Hirata, F.4
Kato, M.5
Taniguchi, Y.6
-
22
-
-
84972939236
-
Estimation of pure-component properties from group contributions
-
Joback, K.G. and Reid, R.C. (1987) Estimation of pure-component properties from group contributions. Chem. Eng. Commun. 57, 233-243.
-
(1987)
Chem. Eng. Commun.
, vol.57
, pp. 233-243
-
-
Joback, K.G.1
Reid, R.C.2
-
23
-
-
19644377421
-
Prediction methods and databases within chemoinformatics: Emphasis on drugs and drug candidates
-
Jonsdottir, S.O., Jorgensen, F.S., and Brunak, S. (2005) Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates. Bioinformatics 21, 2145-2160.
-
(2005)
Bioinformatics
, vol.21
, pp. 2145-2160
-
-
Jonsdottir, S.O.1
Jorgensen, F.S.2
Brunak, S.3
-
24
-
-
0008863560
-
Some factors in the interpretation of protein denaturation
-
Kauzmann, W. (1959) Some factors in the interpretation of protein denaturation. Adv. Protein Chem. 14, 1-63.
-
(1959)
Adv. Protein Chem.
, vol.14
, pp. 1-63
-
-
Kauzmann, W.1
-
25
-
-
0032892577
-
AAindex: Amino Acid Index Database
-
Kawashima, S., Ogata, H., and Kanehisa, M. (1999) AAindex: Amino Acid Index Database. Nucleic Acids Res. 27, 368-369.
-
(1999)
Nucleic Acids Res.
, vol.27
, pp. 368-369
-
-
Kawashima, S.1
Ogata, H.2
Kanehisa, M.3
-
26
-
-
33750892290
-
Structures and symbols for synthetic amino acids incorporated into synthetic polypeptides
-
In edited by G.D. Fasman, CRC Press, Cleveland
-
Khosla, M.C. and Cohn, W.E. (1976) Structures and symbols for synthetic amino acids incorporated into synthetic polypeptides. In Handbook of Biochemistry and Molecular Biology, edited by G.D. Fasman, CRC Press, Cleveland, pp. 96-108.
-
(1976)
Handbook of Biochemistry and Molecular Biology
, pp. 96-108
-
-
Khosla, M.C.1
Cohn, W.E.2
-
27
-
-
14544278461
-
Recent methodologies for the estimation of n-octanol/water partition coefficients and their use in the prediction of membrane transport properties of drugs
-
Klopman, G. and Zhu, H. (2005) Recent methodologies for the estimation of n-octanol/water partition coefficients and their use in the prediction of membrane transport properties of drugs. Mini Rev. Med. Chem. 5, 127-133.
-
(2005)
Mini Rev. Med. Chem.
, vol.5
, pp. 127-133
-
-
Klopman, G.1
Zhu, H.2
-
28
-
-
0033152412
-
Selection, history and chemistry: The three faces of the genetic code
-
Knight, R.D., Freeland, S.J., and Landweber, L.F. (1999) Selection, history and chemistry: the three faces of the genetic code. Trends Biochem. Sci. 24, 241-247.
-
(1999)
Trends Biochem. Sci.
, vol.24
, pp. 241-247
-
-
Knight, R.D.1
Freeland, S.J.2
Landweber, L.F.3
-
29
-
-
0030902304
-
Amino acid substitutions preserve protein folding by conserving steric and hydrophobicity properties
-
Ladunga, I. and Smith, R.F. (1997) Amino acid substitutions preserve protein folding by conserving steric and hydrophobicity properties. Protein Eng. 10, 187-196.
-
(1997)
Protein Eng.
, vol.10
, pp. 187-196
-
-
Ladunga, I.1
Smith, R.F.2
-
30
-
-
24544469216
-
Calculating log Poct from structures
-
Leo, A.J. (1993) Calculating log Poct from structures. Chem. Rev. 93, 1281-1306.
-
(1993)
Chem. Rev.
, vol.93
, pp. 1281-1306
-
-
Leo, A.J.1
-
31
-
-
0017157584
-
A simplified representation of protein conformations for rapid simulation of protein folding
-
Levitt, M. (1976) A simplified representation of protein conformations for rapid simulation of protein folding. J. Mol. Biol. 104, 59-107.
-
(1976)
J. Mol. Biol.
, vol.104
, pp. 59-107
-
-
Levitt, M.1
-
32
-
-
0003998388
-
-
Lide, D.R., ed. 82nd ed., Chapman & Hall/CRC, Cleveland
-
Lide, D.R., ed. (2001) CRC Handbook of Chemistry and Physics, 82nd ed., Chapman & Hall/CRC, Cleveland.
-
(2001)
CRC Handbook of Chemistry and Physics
-
-
-
33
-
-
1542635893
-
Prediction of the isoelectric point of an amino acid based on GA-PLS and SVMs
-
Liu, H.X., Zhang, R.S., Yao, X.J., Liu, M.C., Hu, Z.D., and Fan, B.T. (2004) Prediction of the isoelectric point of an amino acid based on GA-PLS and SVMs. J. Chem. Inf. Comput. Sci. 44, 161-167.
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 161-167
-
-
Liu, H.X.1
Zhang, R.S.2
Yao, X.J.3
Liu, M.C.4
Hu, Z.D.5
Fan, B.T.6
-
34
-
-
33745888090
-
On the evolution of the standard amino-acid alphabet
-
Epub 2006 Feb 1
-
Lu, Y. and Freeland, S.J. (2006) On the evolution of the standard amino-acid alphabet. Genome Biol. 7,102. Epub 2006 Feb 1.
-
(2006)
Genome Biol.
, vol.7
, pp. 102
-
-
Lu, Y.1
Freeland, S.J.2
-
36
-
-
0034776133
-
Fuzzy neural network-based prediction of the motif for MHC class II binding peptides
-
Noguchi, H., Hanai, T., Honda, H., Harrison, L.C., and Kobayashi, T. (2001) Fuzzy neural network-based prediction of the motif for MHC class II binding peptides. J. Biosci. Bioeng. 92, 227-231.
-
(2001)
J. Biosci. Bioeng.
, vol.92
, pp. 227-231
-
-
Noguchi, H.1
Hanai, T.2
Honda, H.3
Harrison, L.C.4
Kobayashi, T.5
-
37
-
-
0003569330
-
a Prediction for Organic Acids and Bases
-
Chapman and Hall Publishers, London
-
a Prediction for Organic Acids and Bases, Chapman and Hall Publishers, London.
-
(1981)
-
-
Perrin, D.D.1
Dempsey, B.2
Serjeant, E.P.3
-
38
-
-
0035470269
-
Prediction of n-octanol/water partition coefficients from PHYSPROP database using artificial neural networks and E-state indices
-
Tetko, I.V., Tanchuk, V.Y., and Villa, A.E. (2001) Prediction of n-octanol/water partition coefficients from PHYSPROP database using artificial neural networks and E-state indices. J. Chem. Inf. Comput. Sci. 41, 1407-1421.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 1407-1421
-
-
Tetko, I.V.1
Tanchuk, V.Y.2
Villa, A.E.3
-
40
-
-
0029922443
-
Analysis of amino acid indices and mutation matrices for sequence comparison and structure prediction of proteins
-
Tomii, K. and Kanehisa, M. (1996) Analysis of amino acid indices and mutation matrices for sequence comparison and structure prediction of proteins. Protein Eng. 9, 27-36.
-
(1996)
Protein Eng.
, vol.9
, pp. 27-36
-
-
Tomii, K.1
Kanehisa, M.2
-
41
-
-
0038334741
-
Selective descriptor pruning for QSAR/QSPR studies using artificial neural networks
-
Turner, J.V., Cutler, D.J., Spence, I., and Maddalena, D.J. (2003) Selective descriptor pruning for QSAR/QSPR studies using artificial neural networks. J. Comput. Chem. 24, 891-897.
-
(2003)
J. Comput. Chem.
, vol.24
, pp. 891-897
-
-
Turner, J.V.1
Cutler, D.J.2
Spence, I.3
Maddalena, D.J.4
-
42
-
-
0017705507
-
Posttranslational covalent modification of proteins
-
Uy, R. and Wold, F. (1977) Posttranslational covalent modification of proteins. Science 198, 890-896.
-
(1977)
Science
, vol.198
, pp. 890-896
-
-
Uy, R.1
Wold, F.2
-
43
-
-
0028046002
-
Lipophilicity of amino acids
-
van de Waterbeemd, H., Karajiannis, H., and El Tayar, N. (1994) Lipophilicity of amino acids. Amino Acids 7, 129-145.
-
(1994)
Amino Acids
, vol.7
, pp. 129-145
-
-
van de Waterbeemd, H.1
Karajiannis, H.2
El Tayar, N.3
-
44
-
-
0019792825
-
Reasons for the occurrence of the twenty coded protein amino acids
-
Weber, A.L. and Miller, S.L. (1981) Reasons for the occurrence of the twenty coded protein amino acids. J. Mol. Evol. 17, 273-284.
-
(1981)
J. Mol. Evol.
, vol.17
, pp. 273-284
-
-
Weber, A.L.1
Miller, S.L.2
-
45
-
-
18744377988
-
Bioinformatics in drug development and assessment
-
Wishart, D.S. (2005) Bioinformatics in drug development and assessment. Drug Metab. Rev. 37, 279-310.
-
(2005)
Drug Metab. Rev.
, vol.37
, pp. 279-310
-
-
Wishart, D.S.1
-
46
-
-
17844405021
-
Coevolution theory of the genetic code at age thirty
-
Wong, J.T. (2005) Coevolution theory of the genetic code at age thirty. Bioessays 27, 416-425.
-
(2005)
Bioessays
, vol.27
, pp. 416-425
-
-
Wong, J.T.1
-
47
-
-
0013824051
-
On the evolution of the genetic code
-
Woese, C.R. (1965) On the evolution of the genetic code. Proc. Natl. Acad. Sci. USA 54, 1546-1552.
-
(1965)
Proc. Natl. Acad. Sci. USA
, vol.54
, pp. 1546-1552
-
-
Woese, C.R.1
-
48
-
-
27544433454
-
Grouping of amino acid types and extraction of amino acid properties from multiple sequence alignments using variance maximization
-
Wrabl, J.O. and Grishin, N.V. (2005) Grouping of amino acid types and extraction of amino acid properties from multiple sequence alignments using variance maximization. Proteins 61, 523-534.
-
(2005)
Proteins
, vol.61
, pp. 523-534
-
-
Wrabl, J.O.1
Grishin, N.V.2
-
49
-
-
27744485401
-
Adding amino acids to the genetic repertoire
-
Xie, J. and Schultz, P.G. (2005) Adding amino acids to the genetic repertoire. Curr. Opin. Chem. Biol. 9, 548-554.
-
(2005)
Curr. Opin. Chem. Biol.
, vol.9
, pp. 548-554
-
-
Xie, J.1
Schultz, P.G.2
-
50
-
-
20144384309
-
Pyrrolysine and selenocysteine use dissimilar decoding strategies
-
Zhang, Y., Baranov, P.V., Atkins, J.F., and Gladyshev, V.N. (2005) Pyrrolysine and selenocysteine use dissimilar decoding strategies. J. Biol. Chem. 280, 20740-20751.
-
(2005)
J. Biol. Chem.
, vol.280
, pp. 20740-20751
-
-
Zhang, Y.1
Baranov, P.V.2
Atkins, J.F.3
Gladyshev, V.N.4
-
51
-
-
0141566477
-
Fast calculation of van der Waals volume as a sum of atomic and bond contributions and its application to drug compounds
-
Zhao, Y.H., Abraham, M.H., and Zissimos, A.M. (2003) Fast calculation of van der Waals volume as a sum of atomic and bond contributions and its application to drug compounds. J. Org. Chem. 68, 7368-7373.
-
(2003)
J. Org. Chem.
, vol.68
, pp. 7368-7373
-
-
Zhao, Y.H.1
Abraham, M.H.2
Zissimos, A.M.3
-
52
-
-
33746925495
-
A new group contribution approach to the calculation of LogP
-
Zhu, H., Sedykh, A., Chakravarti, S.K., and Klopman, G. (2005) A new group contribution approach to the calculation of LogP. Curr. Computer Aided Drug Design 1, 3-9.
-
(2005)
Curr. Computer Aided Drug Design
, vol.1
, pp. 3-9
-
-
Zhu, H.1
Sedykh, A.2
Chakravarti, S.K.3
Klopman, G.4
|