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51

Towards understanding some ion intensity relationships for the tandem mass spectra of protonated peptides

Béla Paizs, Sándor Suhai

Journal:

Rapid Communications in Mass Spectrometry

Year:

2002

Language:

english

File:

PDF, 106 KB

english, 2002

52

Eine neue Methode zur Berechnung der Ladungsverteilung in Polymeren unter Berücksichtigung der Endeffekte

Géza Biczó, Miklós Kertész, Sándor Suhai

Journal:

Zeitschrift für Chemie

Year:

1975

Language:

german

File:

PDF, 257 KB

german, 1975

53

Non-empirical SCF MO studies on the protonation of biopolymer constituents

Paul G. Mezey, Jänos J. Ladik, Sándor Suhai

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1979

Language:

english

File:

PDF, 342 KB

english, 1979

54

Potential energy calculations for the double internal rotation in acetone and dimethylamine

Yves G. Smeyers, Antonio Huertas-Cabrera, Sandor Suhai

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1983

Language:

english

File:

PDF, 444 KB

english, 1983

55

Molecular databases on the internet

Martin Ebeling, Sandor Suhai

Journal:

Journal of Molecular Medicine

Year:

1997

Language:

english

File:

PDF, 119 KB

english, 1997

56

Publication list of Professor Sándor Suhai

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2010

Language:

english

File:

PDF, 177 KB

english, 2010

57

Ground-state properties of the retinal molecule: from quantum mechanical to classical mechanical computations of retinal proteins

Ana-Nicoleta Bondar, Michaela Knapp-Mohammady, Sándor Suhai, Stefan Fischer, Jeremy C. Smith

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2011

Language:

english

File:

PDF, 826 KB

english, 2011

58

The effect of the protein environment on the structure and charge distribution of the retinal Schiff base in bacteriorhodopsin

Emadeddin Tajkhorshid, Sándor Suhai

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1999

Language:

english

File:

PDF, 167 KB

english, 1999

59

Towards Understanding the Tandem Mass Spectra of Protonated Oligopeptides. 2: The Proline Effect in Collision-Induced Dissociation of Protonated Ala-Ala-Xxx-Pro-Ala (Xxx = Ala, Ser, Leu, Val, Phe, and Trp)

Christian Bleiholder, Sándor Suhai, Alex G. Harrison, Béla Paizs

Journal:

Journal of the American Society for Mass Spectrometry

Year:

2011

Language:

english

File:

PDF, 255 KB

english, 2011

60

Revising the proton affinity scale of the naturally occurringα-amino acids

Christian Bleiholder, Sándor Suhai, Béla Paizs

Journal:

Journal of the American Society for Mass Spectrometry

Year:

2006

Language:

english

File:

PDF, 360 KB

english, 2006

61

Isotope Labeling and Theoretical Study of the Formation of a3* Ions from Protonated Tetraglycine

Travis Cooper, Erach Talaty, Jerod Grove, Michael Van Stipdonk, Sándor Suhai, Béla Paizs

Journal:

Journal of the American Society for Mass Spectrometry

Year:

2006

Language:

english

File:

PDF, 760 KB

english, 2006

62

Density functional computational thermochemistry: determination of the enthalpy of formation of sulfine, CH2SO, at room temperature

Oscar N. Ventura, Martina Kieninger, Raúl E. Cachau, Sandor Suhai

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 116 KB

english, 2000

63

Performance of the AM1, PM3, and SCC-DFTB methods in the study of conjugated Schiff base molecules

Hongyi Zhou, Emad Tajkhorshid, Thomas Frauenheim, Sándor Suhai, Marcus Elstner

Journal:

Chemical Physics

Year:

2002

Language:

english

File:

PDF, 142 KB

english, 2002

64

The Water Dimer: Post-Hartree-Fock and Density Functional Calculations on the Potential Energy Surface

Oscar N. Ventura, Martina Kieninger, Sandor Suhai, Geerd H. F. Diercksen

Journal:

Molecular Engineering

Year:

1997

Language:

english

File:

PDF, 446 KB

english, 1997

65

Discovery of Two Novel, Small-Molecule Inhibitors of DNA Methylation

Siedlecki, Pawel, Boy, Regine Garcia, Musch, Tanja, Brueckner, Bodo, Suhai, Sandor, Lyko, Frank, Zielenkiewicz, Piotr

Journal:

Journal of Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 452 KB

english, 2006

66

X-HUSAR, an X-based graphical interface for the analysis of genomic sequences

Martin Senger, Karl-Heinz Glatting, Otto Ritter, Sandor Suhai

Journal:

Computer Methods and Programs in Biomedicine

Year:

1995

Language:

english

File:

PDF, 5.45 MB

english, 1995

67

Mechanism of Primary Proton Transfer in Bacteriorhodopsin

Ana-Nicoleta Bondar, Marcus Elstner, Sándor Suhai, Jeremy C Smith, Stefan Fischer

Journal:

Year:

2004

Language:

english

File:

PDF, 290 KB

english, 2004

68

Density functional studies of internal rotation: formamide as a prototype of the peptide bond

Martina Kieninger, Sándor Suhai

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 546 KB

english, 1996

69

Glycine conformations: gradient-corrected DFT-studies

Martina Kieninger, Sandor Suhai, Oscar N Ventura

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 736 KB

english, 1998

70

DoOPSearch: a web-based tool for finding and analysing common conserved motifs in the promoter regions of different chordate and plant genes

Endre Sebestyén, Tibor Nagy, Sándor Suhai, Endre Barta

Journal:

BMC Bioinformatics

Year:

2009

Language:

english

File:

PDF, 1.12 MB

english, 2009

71

cDNA2Genome: A tool for mapping and annotating cDNAs

Coral del Val, Karl-Heinz Glatting, Sandor Suhai

Journal:

BMC Bioinformatics

Year:

2003

Language:

english

File:

PDF, 480 KB

english, 2003

72

Applying Support Vector Machines for Gene ontology based gene function prediction

Arunachalam Vinayagam, Rainer König, Jutta Moormann, Falk Schubert, Roland Eils, Karl-Heinz Glatting, Sándor Suhai

Journal:

BMC Bioinformatics

Year:

2004

Language:

english

File:

PDF, 1.10 MB

english, 2004

73

GOPET: A tool for automated predictions of Gene Ontology terms

Arunachalam Vinayagam, Coral del Val, Falk Schubert, Roland Eils, Karl-Heinz Glatting, Sándor Suhai, Rainer König

Journal:

BMC Bioinformatics

Year:

2006

Language:

english

File:

PDF, 475 KB

english, 2006

74

Secondary structure of the Arg-Gly-Asp recognition site in proteins involved in cell-surface adhesion : Evidence for the occurrence of nested β-bends in the model hexapeptide GRGDSP

Jennifer REED, William E. HULL, Claus-Wilhelm von der LIETH, Dieter KÜBLER, Sandor SUHAI, Volker KINZEL

Journal:

Year:

1988

Language:

english

File:

PDF, 1.33 MB

english, 1988

75

Intercalators. 1. Nature of Stacking Interactions between Intercalators (Ethidium, Daunomycin, Ellipticine, and 4‘,6-Diaminide-2-phenylindole) and DNA Base Pairs. Ab Initio Quantum Chemical, Density Functional Theory, and Empirical Potential Study

Řeha, David, Kabeláč, Martin, Ryjáček, Filip, Šponer, Jiří, Šponer, Judit E., Elstner, Marcus, Suhai, Sándor, Hobza, Pavel

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 427 KB

english, 2002

76

Suppression of the back proton-transfer from Asp85 to the retinal Schiff base in bacteriorhodopsin: A theoretical analysis of structural elements

Ana-Nicoleta Bondar, Sándor Suhai, Stefan Fischer, Jeremy C. Smith, Marcus Elstner

Journal:

Journal of Structural Biology

Year:

2007

Language:

english

File:

PDF, 795 KB

english, 2007

77

Establishment and functional validation of a structural homology model for human DNA methyltransferase 1

Pawel Siedlecki, Regine Garcia Boy, Slobodan Comagic, Ralf Schirrmacher, Manfred Wiessler, Piotr Zielenkiewicz, Sandor Suhai, Frank Lyko

Journal:

Biochemical and Biophysical Research Communications

Year:

2003

Language:

english

File:

PDF, 364 KB

english, 2003

78

Genomics and Proteomics || Automatic Assembly and Editing of Genomic Data

Year:

2002

Language:

english

File:

PDF, 332 KB

english, 2002

79

Human papillomavirus type 16 DNA sequence

Klaus Seedorf, Günter Krämmer, Matthias Dürst, Sandor Suhai, Walter G. Röwekamp

Journal:

Year:

1985

Language:

english

File:

PDF, 427 KB

english, 1985

80

Molecular Dynamics Study of the Nature and Origin of Retinal's Twisted Structure in Bacteriorhodopsin

Tajkhorshid, Emadeddin, Baudry, Jérôme, Schulten, Klaus, Suhai, Sándor

Journal:

Biophysical Journal

Year:

2000

Language:

english

File:

PDF, 173 KB

english, 2000

81

Automatic detection of exonic splicing enhancers (ESEs) using SVMs

Britta Mersch, Alexander Gepperth, Sándor Suhai, Agnes Hotz-Wagenblatt

Journal:

BMC Bioinformatics

Year:

2008

Language:

english

File:

PDF, 743 KB

english, 2008

82

Structure and Vibrational Spectra of the Zwitterion l -Alanine in the Presence of Explicit Water Molecules: A Density Functional Analysis

Tajkhorshid, Emadeddin, Jalkanen, K. J., Suhai, Sándor

Journal:

Journal of Physical Chemistry B

Year:

1998

Language:

english

File:

PDF, 180 KB

english, 1998

83

Theoretical investigation of carbon defects and diffusion in α-quartz

Köhler, Christof, Hajnal, Zoltán, Deák, Péter, Frauenheim, Thomas, Suhai, Sándor

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 484 KB

english, 2001

84

Atomistic simulations of complex materials: ground-state and excited-state properties

Frauenheim, Thomas, Seifert, Gotthard, Elstner, Marcus, Niehaus, Thomas, Köhler, Christof, Amkreutz, Marc, Sternberg, Michael, Hajnal, Zoltán, Carlo, Aldo Di, Suhai, Sándor

Journal:

Journal of Physics Condensed Matter

Year:

2002

Language:

english

File:

PDF, 707 KB

english, 2002

85

Density Functional Studies on N -Methylacetamide−Water Complexes

Han, Wen-Ge, Suhai, Sándor

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 422 KB

english, 1996

86

Spectroscopic and Theoretical Evidence for Oxazolone Ring Formation in Collision-Induced Dissociation of Peptides

Polfer, Nick C., Oomens, Jos, Suhai, Sándor, Paizs, Béla

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 123 KB

english, 2005

87

Stepwise Solvation of an Amino Acid: The Appearance of Zwitterionic Structures †

Blom, Martine N., Compagnon, Isabelle, Polfer, Nick C., von Helden, Gert, Meijer, Gerard, Suhai, Sándor, Paizs, Béla, Oomens, Jos

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 556 KB

english, 2007

88

Reliable theoretical treatment of molecular clusters: Counterpoise-corrected potential energy surface and anharmonic vibrational frequencies of the water dimer

Hobza, Pavel, Bludský, Ota, Suhai, Sándor

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 104 KB

english, 1999

89

Theoretical Study of Aqueous N -Acetyl- l -alanine N ‘-Methylamide: Structures and Raman, VCD, and ROA Spectra

Han, Wen-Ge, Jalkanen, K. J., Elstner, Marcus, Suhai, Sándor

Journal:

Journal of Physical Chemistry B

Year:

1998

Language:

english

File:

PDF, 223 KB

english, 1998

90

The nucleotide sequence of the early region of the Tupaia adenovirus DNA corresponding to the oncogenic region E1b of human adenovirus 7

Flügel, Rolf M., Bannert, Helmut, Suhai, Sándor, Darai, Gholamreza

Journal:

Year:

1985

Language:

english

File:

PDF, 834 KB

english, 1985

91

Sanitary Inspectors and their Powers.

Flügel, Rolf M., Bannert, Helmut, Suhai, Sándor, Darai, Gholamreza

Journal:

Year:

1903

Language:

english

File:

PDF, 310 KB

english, 1903

92

Binding of Gold Clusters with DNA Base Pairs: A Density Functional Study of Neutral and Anionic GC−Au n and AT−Au n ( n = 4, 8) Complexes

Kumar, Anil, Mishra, P. C., Suhai, Sándor

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 291 KB

english, 2006

93

Density Functional Theory of Molecular Solids: Local versus Periodic Effects in the Two-Dimensional Infinite Hydrogen-Bonded Sheet of Formamide

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 557 KB

english, 1996

94

Influence of the Methyl Groups on the Structure, Charge Distribution, and Proton Affinity of the Retinal Schiff Base

Tajkhorshid, Emadeddin, Suhai, Sándor

Journal:

Journal of Physical Chemistry B

Year:

1999

Language:

english

File:

PDF, 92 KB

english, 1999

95

Role of Isomerization Barriers in the p K a Control of the Retinal Schiff Base: A Density Functional Study

Tajkhorshid, Emadeddin, Paizs, Béla, Suhai, Sándor

Journal:

Journal of Physical Chemistry B

Year:

1999

Language:

english

File:

PDF, 90 KB

english, 1999

96

Conformational Effects on the Proton Affinity of the Schiff Base in Bacteriorhodopsin: A Density Functional Study

Tajkhorshid, Emadeddin, Paizs, Béla, Suhai, Sándor

Journal:

Journal of Physical Chemistry B

Year:

1997

Language:

english

File:

PDF, 362 KB

english, 1997

97

Key Role of Electrostatic Interactions in Bacteriorhodopsin Proton Transfer

Bondar, Ana-Nicoleta, Fischer, Stefan, Smith, Jeremy C., Elstner, Marcus, Suhai, Sándor

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 379 KB

english, 2004

98

Scrambling of Sequence Information in Collision-Induced Dissociation of Peptides

Harrison, Alex G., Young, Alex B., Bleiholder, Christian, Suhai, Sándor, Paizs, Béla

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 98 KB

english, 2006

99

Infrared Spectroscopy and Theoretical Studies on Gas-Phase Protonated Leu-enkephalin and Its Fragments: Direct Experimental Evidence for the Mobile Proton

Polfer, Nick C., Oomens, Jos, Suhai, Sándor, Paizs, Béla

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 479 KB

english, 2007

100

The Effect of the Initial Water of Hydration on the Energetics, Structures, and H/D Exchange Mechanism of a Family of Pentapeptides: An Experimental and Theoretical Study

Wyttenbach, Thomas, Paizs, Béla, Barran, Perdita, Breci, Linda, Liu, Dengfeng, Suhai, Sándor, Wysocki, Vicki H., Bowers, Michael T.

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 263 KB

english, 2003

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