Sandor Suhai: search on Z-Library

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1

Hydrogen bonding in long chains of hydrogen fluoride and long chains and large clusters of water molecules

Alfred Karpfen, Janos Ladik, Peter Russegger, Peter Schuster, Sàndor Suhai

Journal:

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

Year:

1974

Language:

english

File:

PDF, 656 KB

english, 1974

2

Fragmentation pathways of protonated peptides

Béla Paizs, Sándor Suhai

Journal:

Mass Spectrometry Reviews

Year:

2005

Language:

english

File:

PDF, 454 KB

english, 2005

3

The electronic structure of periodic protein models

Journal:

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

Year:

1974

Language:

english

File:

PDF, 369 KB

english, 1974

4

: Many-body perturbation theory versus density-functional methods

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 181 KB

english, 1995

5

Electron correlation in extended systems: Fourth-order many-body perturbation theory and density-functional methods applied to an infinite chain of hydrogen atoms

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 531 KB

english, 1994

6

Electron correlation and dimerization in trans -polyacetylene: Many-body perturbation theory versus density-functional methods

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 616 KB

english, 1995

7

CAFTAN: a tool for fast mapping, and quality assessment of cDNAs

Coral del Val, Vladimir Yurjevich Kuryshev, Karl-Heinz Glatting, Peter Ernst, Agnes Hotz-Wagenblatt, Annemarie Poustka, Sandor Suhai, Stefan Wiemann

Journal:

BMC Bioinformatics

Year:

2006

Language:

english

File:

PDF, 385 KB

english, 2006

8

Formation of b2+ ions from protonated peptides: an ab initio study

Béla Paizs, György Lendvay, Károly Vékey, Sándor Suhai

Journal:

Rapid Communications in Mass Spectrometry

Year:

1999

Language:

english

File:

PDF, 189 KB

english, 1999

9

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

10

Gigabytes liber Gigabasen - Informationsintegration in der Genomforschung

Ritter, Otto, Suhai, Sándor

Journal:

it - Information Technology

Year:

1996

Language:

german

File:

PDF, 1.41 MB

german, 1996

11

Computational Methods in Cancer Research The Hierarchy of Genomic Information

Journal:

Interdisciplinary Science Reviews

Year:

1989

Language:

english

File:

PDF, 893 KB

english, 1989

12

Dielectric effects due to the environment on the structure and proton affinity of retinal Schiff base models

Emadeddin Tajkhorshid, Sándor Suhai

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 179 KB

english, 1999

13

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

14

Microhydration of the Guanine−Cytosine (GC) Base Pair in the Neutral and Anionic Radical States: A Density Functional Study

Kumar, Anil, Sevilla, Michael D., Suhai, Sándor

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 554 KB

english, 2008

15

Energetics and structure of glycine and alanine based model peptides: Approximate SCC-DFTB, AM1 and PM3 methods in comparison with DFT, HF and MP2 calculations

Marcus Elstner, Karl J. Jalkanen, Michaela Knapp-Mohammady, Thomas Frauenheim, Sándor Suhai

Journal:

Chemical Physics

Year:

2001

Language:

english

File:

PDF, 170 KB

english, 2001

16

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

17

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

18

Electronic structure of biopolymers and possible mechanisms of chemical carcinogenesis

János Ladik, Sándor Suhai, Max Seel

Journal:

International Journal of Quantum Chemistry

Year:

1978

Language:

english

File:

PDF, 846 KB

english, 1978

19

Molecular databases on the internet

Martin Ebeling, Sandor Suhai

Journal:

Journal of Molecular Medicine

Year:

1997

Language:

english

File:

PDF, 119 KB

english, 1997

20

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

21

Genomics and Proteomics ||

Year:

2002

Language:

english

File:

PDF, 12.50 MB

english, 2002

22

Dynamics of breathers and kink-antikink collisions in trans-polyacetylene studied by an all-valence electron tight-binding Hamiltonian

Marcus Elstner, Giulia Galli, Sándor Suhai

Journal:

Physica D: Nonlinear Phenomena

Year:

1998

Language:

english

File:

PDF, 381 KB

english, 1998

23

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

24

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

25

Geometry optimization of large biomolecules in redundant internal coordinates

Paizs, Béla, Baker, Jon, Suhai, Sandor, Pulay, Peter

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 302 KB

english, 2000

26

Genomics and Proteomics || Analysis of Chromosome Territory Architecture in the Human Cell Nucleus

Year:

2002

Language:

english

File:

PDF, 96 KB

english, 2002

27

Theoretical study of the main fragmentation pathways for protonated glycylglycine

Béla Paizs, Sándor Suhai

Journal:

Rapid Communications in Mass Spectrometry

Year:

2001

Language:

english

File:

PDF, 496 KB

english, 2001

28

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

29

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

30

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

31

Valence electronic structure of selected polyorganosiloxanes; x-ray photoelectron spectroscopy and quantum chemical studies

Ferenczy, György G, Tóth, András, Bertóti, Imre, Suhai, Sándor

Journal:

Journal of Physics Condensed Matter

Year:

1997

Language:

english

File:

PDF, 191 KB

english, 1997

32

Intermolecular bond lengths: extrapolation to the basis set limit on uncorrected and BSSE-corrected potential energy hypersurfaces

Béla Paizs, Pedro Salvador, Attila G. Császár, Miquel Duran, Sándor Suhai

Journal:

Journal of Computational Chemistry

Year:

2001

Language:

english

File:

PDF, 242 KB

english, 2001

33

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

34

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

35

Infrared Fingerprint Spectroscopy and Theoretical Studies of Potassium Ion Tagged Amino Acids and Peptides in the Gas Phase

Polfer, Nick C., Paizs, Béla, Snoek, Lavina C., Compagnon, Isabelle, Suhai, Sándor, Meijer, Gerard, von Helden, Gert, Oomens, Jos

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 344 KB

english, 2005

36

Evaluating the formation of salt-bridges: a molecular orbital study

István P Csonka, Béla Paizs, Sándor Suhai

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 104 KB

english, 2000

37

Studies on structure and conformational stability of free canonical 2′-deoxyribonucleosides: Approximate SCC-DFTB and LMP2 methods

P. Kolandaivel, Michaela Knapp-Mohammady, Sandor Suhai

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 127 KB

english, 2004

38

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

39

Tuning of Retinal Twisting in Bacteriorhodopsin Controls the Directionality of the Early Photocycle Steps

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

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 84 KB

english, 2005

40

Genomics and Proteomics || Is Human Genetics Becoming Dagerous to Society?

Year:

2002

Language:

english

File:

PDF, 126 KB

english, 2002

41

Energy minimization of peptide analogues using genetic algorithms

Frank Herrmann, Sándor Suhai

Journal:

Journal of Computational Chemistry

Year:

1995

Language:

english

File:

PDF, 1.04 MB

english, 1995

42

Ab initio and MS/MS studies on protonated peptides containing basic and acidic amino acid residues: I. Solvated proton vs. salt-bridged structures and the cleavage of the terminal amide bond of protonated RD-NH2

Béla Paizs, Sándor Suhai, Balázs Hargittai, Victor J Hruby, Árpád Somogyi

Journal:

International Journal of Mass Spectrometry

Year:

2002

Language:

english

File:

PDF, 903 KB

english, 2002

43

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

44

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

45

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

46

QM/MM Study of the Active Site of Free Papain and of the NMA-Papain Complex

Han, Wen-Ge, Tajkhorshid, Emadeddin, Suhai, Sándor

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

1999

Language:

english

File:

PDF, 1.23 MB

english, 1999

47

Genomics and Proteomics || Linking Structural Biology With Genome Research

Year:

2002

Language:

english

File:

PDF, 799 KB

english, 2002

48

Genomics and Proteomics || Shox Homeobox Gene and Turner Syndrome

Year:

2002

Language:

english

File:

PDF, 280 KB

english, 2002

49

Combined quantum chemical and RRKM modeling of the main fragmentation pathways of protonated GGG. II. Formation of b2, y1, and y2 ions

Béla Paizs, Sándor Suhai

Journal:

Rapid Communications in Mass Spectrometry

Year:

2002

Language:

english

File:

PDF, 511 KB

english, 2002

50

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

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