-
1
-
-
60749102222
-
Using the KEGG database resource
-
JohnWiley & Sons, Hoboken, New Jersey, Chapter 1, Unit 1. 12
-
Aoki, K.F. and Kanehisa, M. (2005) Using the KEGG database resource. In: Current Protocols in Bioinformatics. JohnWiley & Sons, Hoboken, New Jersey, Chapter 1, Unit 1.12.
-
(2005)
Current Protocols in Bioinformatics
-
-
Aoki, K.F.1
Kanehisa, M.2
-
2
-
-
74549130019
-
Omics.pnl.gov: A Portal for the Distribution and Sharing of Multi-Disciplinary Pan-Omics Information
-
Auberry, K.J. et al. (2010) Omics.pnl.gov: A Portal for the Distribution and Sharing of Multi-Disciplinary Pan-Omics Information. J. Proteomics. Bioinform., 3, 1-4.
-
(2010)
J. Proteomics. Bioinform.
, vol.3
, pp. 1-4
-
-
Auberry, K.J.1
-
3
-
-
0030464437
-
A reassessment of the bond dissociation energies of peroxides. An ab Initio study
-
Bach, R.D. et al. (1996) A reassessment of the bond dissociation energies of peroxides. An ab Initio study. J. Am. Chem. Soc., 118, 12758-12765.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 12758-12765
-
-
Bach, R.D.1
-
4
-
-
33845261493
-
A rapid method for total lipid extraction and purification
-
Bligh, E.G. and Dyer, W.J. (1959) A rapid method for total lipid extraction and purification. Can. J. Biochem. Physiol., 37, 911-917.
-
(1959)
Can. J. Biochem. Physiol.
, vol.37
, pp. 911-917
-
-
Bligh, E.G.1
Dyer, W.J.2
-
5
-
-
36448998595
-
Theoretical foundations of dynamical Monte Carlo simulations
-
Bortz, A.B. et al. (1991) Theoretical foundations of dynamical Monte Carlo simulations. J. Chem. Phys., 95, 1090.
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 1090
-
-
Bortz, A.B.1
-
6
-
-
48949118300
-
Dichloromethane as a solvent for lipid extraction and assessment of lipid classes and fatty acids from samples of different natures
-
Cequier-Saìnchez, E. et al. (2008) Dichloromethane as a solvent for lipid extraction and assessment of lipid classes and fatty acids from samples of different natures. J. Agric. Food Chem., 56, 4297.
-
(2008)
J. Agric. Food Chem.
, vol.56
, pp. 4297
-
-
Cequier-Saìnchez, E.1
-
7
-
-
0033429161
-
Thermal energy distribution observed in electrospray ionization
-
Drahos, L. et al. (1999) Thermal energy distribution observed in electrospray ionization. J. Mass Spectrom., 34, 1273-1379.
-
(1999)
J. Mass Spectrom.
, vol.34
, pp. 1273-1379
-
-
Drahos, L.1
-
8
-
-
0033472544
-
Determination of the thermal energy and its distribution in peptides
-
Drahos, L. and Vékey, K. (1999) Determination of the thermal energy and its distribution in peptides. J. Am. Soc. Mass Spectrom., 10, 323-328.
-
(1999)
J. Am. Soc. Mass Spectrom.
, vol.10
, pp. 323-328
-
-
Drahos, L.1
Vékey, K.2
-
9
-
-
0000857494
-
An approach to correlate tandem mass-spectral data of peptides with amino-acid-sequences in a protein database
-
Eng, J.K. et al. (1994) An approach to correlate tandem mass-spectral data of peptides with amino-acid-sequences in a protein database. J. Am. Soc. Mass Spectrom., 5, 976-989.
-
(1994)
J. Am. Soc. Mass Spectrom.
, vol.5
, pp. 976-989
-
-
Eng, J.K.1
-
10
-
-
33750055006
-
Enumerating molecules
-
Lipkowitz, K. et al. (eds). John Wiley & Sons, Hoboken, New Jersey
-
Faulon, J.L. et al. (2005) Enumerating molecules. In Lipkowitz, K. et al. (eds) Reviews in Computational Chemistry. Vol. 21. John Wiley & Sons, Hoboken, New Jersey.
-
(2005)
Reviews in Computational Chemistry
, vol.21
-
-
Faulon, J.L.1
-
11
-
-
70449158340
-
A simple method for the isolation and purification of total lipides from animal tissues
-
Folch, J. et al. (1957) A simple method for the isolation and purification of total lipides from animal tissues. J. Biol. Chem. 226, 497-509.
-
(1957)
J. Biol. Chem.
, vol.226
, pp. 497-509
-
-
Folch, J.1
-
12
-
-
21844444320
-
Internal energy and fragmentation of ions produced in electrospray sources
-
Gabelica, V. and De Pauw, E. (2005) Internal energy and fragmentation of ions produced in electrospray sources. Mass Spectrom. Rev., 24, 566-587.
-
(2005)
Mass Spectrom. Rev.
, vol.24
, pp. 566-587
-
-
Gabelica, V.1
De Pauw, E.2
-
13
-
-
0141989930
-
Calibration of ion effective temperatures achieved by resonant activation in a quadropole ion trap
-
Gabelica, V. et al. (2003) Calibration of ion effective temperatures achieved by resonant activation in a quadropole ion trap. Anal. Chem., 75, 5152-5159.
-
(2003)
Anal. Chem.
, vol.75
, pp. 5152-5159
-
-
Gabelica, V.1
-
14
-
-
0017030517
-
A general method for numerically simulating the stochastic time evolution of coupled chemical reactions
-
Gillespie, D.T. (1976) A general method for numerically simulating the stochastic time evolution of coupled chemical reactions. J. Comput. Phys., 22, 403-434.
-
(1976)
J. Comput. Phys.
, vol.22
, pp. 403-434
-
-
Gillespie, D.T.1
-
16
-
-
80053636644
-
Database supported candidate search for metabolite identification
-
Hildebrandt, C. et al. (2011) Database supported candidate search for metabolite identification. J. Integrative Bioinformatics, 8, 16.
-
(2011)
J. Integrative Bioinformatics
, vol.8
, pp. 16
-
-
Hildebrandt, C.1
-
17
-
-
49049121462
-
Mass spectral metabonomics beyond elemental formula: chemical database querying by matching experimental with computational fragmentation spectra
-
Hill, D.W. et al. (2008) Mass spectral metabonomics beyond elemental formula: chemical database querying by matching experimental with computational fragmentation spectra. Anal. Chem., 80, 5574-5582.
-
(2008)
Anal. Chem.
, vol.80
, pp. 5574-5582
-
-
Hill, D.W.1
-
19
-
-
0034695364
-
Internal energy distributions resulting from sustained offresonance excitation in FTMS
-
Laskin, L. et al. (2000) Internal energy distributions resulting from sustained offresonance excitation in FTMS. Int. J. Mass Spectrom., 195, 285-302.
-
(2000)
Int. J. Mass Spectrom.
, vol.195
, pp. 285-302
-
-
Laskin, L.1
-
21
-
-
0032909925
-
Automated strategies for obtaining standardized collisionally induced dissociation spectra on a benchtop ion trap mass spectrometer
-
Lopez, L.L. et al. (1999) Automated strategies for obtaining standardized collisionally induced dissociation spectra on a benchtop ion trap mass spectrometer. Rapid Commun. Mass Spectrom., 13, 663-668.
-
(1999)
Rapid Commun. Mass Spectrom.
, vol.13
, pp. 663-668
-
-
Lopez, L.L.1
-
22
-
-
1142278753
-
Unimolecular dossociations and free radical recombination reactions
-
Marcus, R.A. (1952) Unimolecular dossociations and free radical recombination reactions. J. Chem. Phys., 20, 359.
-
(1952)
J. Chem. Phys.
, vol.20
, pp. 359
-
-
Marcus, R.A.1
-
23
-
-
50049102248
-
Lipid extraction by methyl-tert-butyl ether for high-throughput lipidomics
-
Matyash, V. et al. (2008) Lipid extraction by methyl-tert-butyl ether for high-throughput lipidomics. J. Lipid Res., 49, 1137.
-
(2008)
J. Lipid Res.
, vol.49
, pp. 1137
-
-
Matyash, V.1
-
24
-
-
0031010426
-
Slow heating methods in tandem mass spectrometry
-
McLuckey, S.A. and Goeringer, D.E. (1997) Slow heating methods in tandem mass spectrometry. J. Mass Spectrom., 32, 461-474.
-
(1997)
J. Mass Spectrom.
, vol.32
, pp. 461-474
-
-
McLuckey, S.A.1
Goeringer, D.E.2
-
25
-
-
36449008777
-
Monte Carlo simulations of temperature programmed desorption spectra
-
Meng, B. and Weinberg, W.H. (1994) Monte Carlo simulations of temperature programmed desorption spectra. J. Chem. Phys., 100, 5280.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 5280
-
-
Meng, B.1
Weinberg, W.H.2
-
26
-
-
35448972431
-
The future of liquid chromatography-mass spectrometry (LC-MS) in metabolic profiling and metabolomics studies for biomarker discovery
-
Metz, T.O. et al. (2007) The future of liquid chromatography-mass spectrometry (LC-MS) in metabolic profiling and metabolomics studies for biomarker discovery. Biomark. Med., 1, 159-185.
-
(2007)
Biomark. Med.
, vol.1
, pp. 159-185
-
-
Metz, T.O.1
-
27
-
-
13244277582
-
Internal energy distribution in electrospray onization
-
Naban-Maillet, J. et al. (2005) Internal energy distribution in electrospray onization. J. Mass Spectrom., 40, 1-8.
-
(2005)
J. Mass Spectrom.
, vol.40
, pp. 1-8
-
-
Naban-Maillet, J.1
-
28
-
-
42049084803
-
Internal energy distribution of peptides in electrospray ionization: ESI and collision-induced dissociation spectra calculation
-
Pak, A. et al. (2008) Internal energy distribution of peptides in electrospray ionization: ESI and collision-induced dissociation spectra calculation. J. Mass Spectrom., 43, 447-455.
-
(2008)
J. Mass Spectrom.
, vol.43
, pp. 447-455
-
-
Pak, A.1
-
29
-
-
0004225001
-
-
Invention Report S81-64, File 1, Office of Technology Licensing, Stanford University, Palo Alto, California
-
Parker, D. (1982) Learning-logic. Invention Report S81-64, File 1, Office of Technology Licensing, Stanford University, Palo Alto, California.
-
(1982)
Learning-logic
-
-
Parker, D.1
-
30
-
-
0033434080
-
Probability-based protein identification by searching sequence databases using mass spectrometry data
-
Perkins, D.N. et al. (1999) Probability-based protein identification by searching sequence databases using mass spectrometry data. Electrophoresis, 20, 3551-3567.
-
(1999)
Electrophoresis
, vol.20
, pp. 3551-3567
-
-
Perkins, D.N.1
-
31
-
-
0001566922
-
Absolute rate theory for isolated systems and the mass spectra of polyatomic molecules
-
Rosenstock, H.M. et al. (1952) Absolute rate theory for isolated systems and the mass spectra of polyatomic molecules. Proc. Natl Acad. Sci. USA, 38, 667-678.
-
(1952)
Proc. Natl Acad. Sci. USA
, vol.38
, pp. 667-678
-
-
Rosenstock, H.M.1
-
32
-
-
0000646059
-
Learning internal representations by error propagation
-
Rumelhart, D.E. and McClelland, J.L. (eds), Foundations, MIT Press, Cambridge, Massachusetts
-
Rumelhart, D.E. et al. (1986) Learning internal representations by error propagation. In Rumelhart, D.E. and McClelland, J.L. (eds) Parallel Distributed Processing: Explorations in the Microstructures of Cognition. Vol. 1: Foundations, MIT Press, Cambridge, Massachusetts, pp. 318-336.
-
(1986)
Parallel Distributed Processing: Explorations in the Microstructures of Cognition
, vol.1
, pp. 318-336
-
-
Rumelhart, D.E.1
-
33
-
-
56749132087
-
An efficiently computable graph-based metric for the classication of small molecules
-
(LNAI 5525)
-
Schietgat, L. et al. (2008) An efficiently computable graph-based metric for the classication of small molecules. Proceedings of the 11th International Conference on Discovery Science (LNAI 5525), pp. 197-209.
-
(2008)
Proceedings of the 11th International Conference on Discovery Science
, pp. 197-209
-
-
Schietgat, L.1
-
34
-
-
0033798919
-
Tandem mass spectrometry: dissociation of ions by collisional activation
-
ShuklaA.K. and Futrell, J.H. (2000) Tandem mass spectrometry: dissociation of ions by collisional activation. J. Mass Spectrom., 35, 1069-1090.
-
(2000)
J. Mass Spectrom.
, vol.35
, pp. 1069-1090
-
-
Shukla, A.K.1
Futrell, J.H.2
-
35
-
-
6944233454
-
Ion activation methods for tandem mass spectrometry
-
Sleno, S. and Volmer, D.A. (2004) Ion activation methods for tandem mass spectrometry. J. Mass Spectrom., 39, 1091-1112.
-
(2004)
J. Mass Spectrom.
, vol.39
, pp. 1091-1112
-
-
Sleno, S.1
Volmer, D.A.2
-
36
-
-
32444432587
-
METLIN: a metabolite mass spectral database
-
Smith, C.A. et al. (2005) METLIN: a metabolite mass spectral database. Ther. Drug Monit., 27, 747-751.
-
(2005)
Ther. Drug Monit.
, vol.27
, pp. 747-751
-
-
Smith, C.A.1
-
37
-
-
84875064173
-
-
PhD Dissertation, Institute of Structural Chemistry, Chemical Research Center, Hungarian Academy of Sciences, Budapest, Hungary
-
Sztáray, J. (2009) Modeling the Dissociation of Protonated Ions. PhD Dissertation, Institute of Structural Chemistry, Chemical Research Center, Hungarian Academy of Sciences, Budapest, Hungary.
-
(2009)
Modeling the Dissociation of Protonated Ions
-
-
Sztáray, J.1
-
38
-
-
0029926423
-
Internal energy effects in mass spectrometry
-
Vékey, K. (1996) Internal energy effects in mass spectrometry. J. Mass Spectrom., 31, 445-463.
-
(1996)
J. Mass Spectrom.
, vol.31
, pp. 445-463
-
-
Vékey, K.1
-
41
-
-
77952302069
-
In silico fragmentation for computer assisted identification of metabolite mass spectra
-
Wolf, S. et al. (2010) In silico fragmentation for computer assisted identification of metabolite mass spectra. BMC Bioinformatics, 11, 148.
-
(2010)
BMC Bioinformatics
, vol.11
, pp. 148
-
-
Wolf, S.1
-
42
-
-
0000141761
-
Monte carlo studies of vacancy migration in binary ordered alloys: I
-
Young, W.M. and Elcock, E.W. (1966) Monte carlo studies of vacancy migration in binary ordered alloys: I. Proc. Phys. Soc., 89, 735.
-
(1966)
Proc. Phys. Soc.
, vol.89
, pp. 735
-
-
Young, W.M.1
Elcock, E.W.2
-
43
-
-
3242660851
-
Prediction of low-energy collision-induced dissociation spectra of peptides
-
Zhang, Z. (2004) Prediction of low-energy collision-induced dissociation spectra of peptides. Anal. Chem., 76, 3908-3922.
-
(2004)
Anal. Chem.
, vol.76
, pp. 3908-3922
-
-
Zhang, Z.1
|