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Formation of b<sub>2</sub><sup>+</sup> ions from protonated peptides: an ab initio study.
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- Rapid Communications in Mass Spectrometry: RCM, 1999, v. 13, n. 6, p. 525, doi. 10.1002/(SICI)1097-0231(19990330)13:6<525::AID-RCM519>3.0.CO;2-O
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- Article
Genomic analysis of Xenopus organizer function.
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- BMC Developmental Biology, 2006, v. 6, p. 1, doi. 10.1186/1471-213X-6-27
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- Article
Fragmentation pathways of protonated peptides.
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- Mass Spectrometry Reviews, 2005, v. 24, n. 4, p. 508, doi. 10.1002/mas.20024
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Ground-state properties of the retinal molecule: from quantum mechanical to classical mechanical computations of retinal proteins.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 130, n. 4-6, p. 1169, doi. 10.1007/s00214-011-1054-1
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Publication list of Professor Sándor Suhai.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 125, n. 3-6, p. 107, doi. 10.1007/s00214-009-0688-8
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Modeling of the gas-phase ion chemistry of protonated arginine.
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- Journal of Mass Spectrometry, 2004, v. 39, n. 9, p. 1025, doi. 10.1002/jms.660
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Perturbation theoretical investigation of electron correlation effects in infinite metallic and semiconducting polymers.
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- International Journal of Quantum Chemistry, 1983, v. 23, n. 4, p. 1239, doi. 10.1002/qua.560230414
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Effect of side-chain disorder on the electronic structure of proteins.
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- International Journal of Quantum Chemistry, 1980, v. 17, n. 5, p. 995, doi. 10.1002/qua.560170514
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Electronic structure of biopolymers and possible mechanisms of chemical carcinogenesis.
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- International Journal of Quantum Chemistry, 1978, v. 14, p. 35, doi. 10.1002/qua.560140708
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Ab initio supermolecule study of charge transfer in the glyoxal-formamide and in the H<sub>2</sub>S-formamide systems.
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- International Journal of Quantum Chemistry, 1977, v. 12, p. 451, doi. 10.1002/qua.560120740
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Estimation of the band structure of DNA on the basis of an ab initio SCF LCAO band structure of polycytosine.
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- International Journal of Quantum Chemistry, 1977, v. 12, p. 55, doi. 10.1002/qua.560120707
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- Article
DoOPSearch: a web-based tool for finding and analysing common conserved motifs in the promoter regions of different chordate and plant genes.
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- BMC Bioinformatics, 2009, v. 10, p. 1, doi. 10.1186/1471-2105-10-S6-S6
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- Article
Automatic detection of exonic splicing enhancers (ESEs) using SVMs.
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- BMC Bioinformatics, 2008, v. 9, p. 1, doi. 10.1186/1471-2105-9-369
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CAFTAN: a tool for fast mapping, and quality assessment of cDNAs.
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- BMC Bioinformatics, 2006, v. 7, p. 473, doi. 10.1186/1471-2105-7-473
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GOPET: A tool for automated predictions of Gene Ontology terms.
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- BMC Bioinformatics, 2006, v. 7, p. 161, doi. 10.1186/1471-2105-7-161
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Applying Support Vector Machines for Gene ontology based gene function prediction.
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- BMC Bioinformatics, 2004, v. 5, p. 116, doi. 10.1186/1471-2105-5-116
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cDNA2Genome: A tool for mapping and annotating cDNAs.
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- BMC Bioinformatics, 2003, v. 4, p. 39, doi. 10.1186/1471-2105-4-39
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High‐throughput protein analysis integrating bioinformatics and experimental assays.
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- Nucleic Acids Research, 2004, v. 32, n. 2, p. 742, doi. 10.1093/nar/gkh257
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ESTAnnotator: a tool for high throughput EST annotation.
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- Nucleic Acids Research, 2003, v. 31, n. 13, p. 3716, doi. 10.1093/nar/gkg566
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SERpredict: Detection of tissue- or tumor-specific isoforms generated through exonization of transposable elements.
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- BMC Genetics, 2007, v. 8, p. 78, doi. 10.1186/1471-2156-8-78
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Energy bands and electronic delocalization in the sugar-phosphate backbone of DNA.
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- Biopolymers, 1974, v. 13, n. 9, p. 1739, doi. 10.1002/bip.1974.360130906
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Theoretical investigation of semiconductive properties in proteins. I. Electrical conductivity, charge carrier mobilities, and free paths in β-polyglycine.
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- Biopolymers, 1974, v. 13, n. 9, p. 1731, doi. 10.1002/bip.1974.360130905
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Density functional investigations of carboxyl free radicals: Formyloxyl, acetyloxyl, and benzoyloxyl radicals.
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- International Journal of Quantum Chemistry, 1998, v. 70, n. 2, p. 253, doi. 10.1002/(SICI)1097-461X(1998)70:2<253::AID-QUA2>3.0.CO;2-T
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A density functional elongation method for the theoretical synthesis of aperiodic polymers.
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- International Journal of Quantum Chemistry, 1994, v. 52, n. 2, p. 267, doi. 10.1002/qua.560520202
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Cooperativity and electron correlation effects on hydrogen bonding in infinite systems.
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- International Journal of Quantum Chemistry, 1994, v. 52, n. 2, p. 395, doi. 10.1002/qua.560520213
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Towards understanding some ion intensity relationships for the tandem mass spectra of protonated peptides.
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- Rapid Communications in Mass Spectrometry: RCM, 2002, v. 16, n. 17, p. 1699, doi. 10.1002/rcm.747
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Combined quantum chemical and RRKM modeling of the main fragmentation pathways of protonated GGG. II. Formation of b<sub>2</sub>, y<sub>1</sub>, and y<sub>2</sub> ions.
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- Rapid Communications in Mass Spectrometry: RCM, 2002, v. 16, n. 5, p. 375, doi. 10.1002/rcm.586
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Combined quantum chemical and RRKM modeling of the main fragmentation pathways of protonated GGG. I. Cis- trans isomerization around protonated amide bonds.
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- Rapid Communications in Mass Spectrometry: RCM, 2001, v. 15, n. 23, p. 2307, doi. 10.1002/rcm.507
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Proton mobility and main fragmentation pathways of protonated lysylglycine.
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- Rapid Communications in Mass Spectrometry: RCM, 2001, v. 15, n. 16, p. 1457, doi. 10.1002/rcm.388
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Proton mobility in protonated glycylglycine and N-formylglycylglycinamide: a combined quantum chemical and RKKM study.
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- Rapid Communications in Mass Spectrometry: RCM, 2001, v. 15, n. 8, p. 637, doi. 10.1002/rcm.279
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Theoretical study of the main fragmentation pathways for protonated glycylglycine.
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- Rapid Communications in Mass Spectrometry: RCM, 2001, v. 15, n. 8, p. 651, doi. 10.1002/rcm.273
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Formation of a<sub>2</sub><sup>+</sup> ions of protonated peptides. An ab initio study.
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- Rapid Communications in Mass Spectrometry: RCM, 2000, v. 14, n. 9, p. 746, doi. 10.1002/(SICI)1097-0231(20000515)14:9<746::AID-RCM939>3.0.CO;2-S
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Proton mobility in protonated peptides: a joint molecular orbital and RRKM study.
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- Rapid Communications in Mass Spectrometry: RCM, 2000, v. 14, n. 6, p. 417, doi. 10.1002/(SICI)1097-0231(20000331)14:6<417::AID-RCM885>3.0.CO;2-J
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A task framework for the web interface W2H.
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- Bioinformatics, 2003, v. 19, n. 2, p. 278, doi. 10.1093/bioinformatics/19.2.278
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PATH: a task for the inference of phylogenies.
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- Bioinformatics, 2002, v. 18, n. 4, p. 646, doi. 10.1093/bioinformatics/18.4.646
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A theoretical study of structures and electron affinities of radical anions of guanine-cytosine, adenine-thymine, and hypoxanthine-cytosine base pairs.
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- Journal of Computational Chemistry, 2004, v. 25, n. 8, p. 1047, doi. 10.1002/jcc.20020
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On the effect of the BSSE on intermolecular potential energy surfaces. Comparison of a priori and a posteriori BSSE correction schemes.
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- Journal of Computational Chemistry, 2001, v. 22, n. 7, p. 765, doi. 10.1002/jcc.1042
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Intermolecular bond lengths: extrapolation to the basis set limit on uncorrected and BSSE-corrected potential energy hypersurfaces.
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- Journal of Computational Chemistry, 2001, v. 22, n. 2, p. 196, doi. 10.1002/1096-987X(20010130)22:2<196::AID-JCC7>3.0.CO;2-Y
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Comparative study of BSSE correction methods at DFT and MP2 levels of theory.
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- Journal of Computational Chemistry, 1998, v. 19, n. 6, p. 575, doi. 10.1002/(SICI)1096-987X(19980430)19:6<575::AID-JCC1>3.0.CO;2-O
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Extension of SCF and DFT versions of chemical Hamiltonian approach to N interacting subsystems and an algorithm for their efficient implementation.
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- Journal of Computational Chemistry, 1997, v. 18, n. 5, p. 694, doi. 10.1002/(SICI)1096-987X(19970415)18:5<694::AID-JCC9>3.0.CO;2-I
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Conformational and energetic properties of the ammonia dimer-comparison of post-Hartree-Fock and density functional methods.
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- Journal of Computational Chemistry, 1996, v. 17, n. 13, p. 1508, doi. 10.1002/(SICI)1096-987X(199610)17:13<1508::AID-JCC2>3.0.CO;2-W
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Energy minimization of peptide analogues using genetic algorithms.
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- Journal of Computational Chemistry, 1995, v. 16, n. 11, p. 1434, doi. 10.1002/jcc.540161112
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Studies on structure and conformational stability of free canonical 2'-deoxyribonucleosides: Approximate SCC-DFTB and LMP2 methods.
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- International Journal of Quantum Chemistry, 2004, v. 99, n. 1, p. 28, doi. 10.1002/qua.20101
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SCC-DFTB-D study of intercalating carcinogens: Benzo(a)pyrene and its metabolites complexed with the GC base pair (This article is dedicated to Harald zur Hausen on the occasion of his retirement as head of the Deutsches Krebsforschungszentrum with gratitude and appreciation for 20 years of leadership.)
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- International Journal of Quantum Chemistry, 2003, v. 95, n. 1, p. 44, doi. 10.1002/qua.10715
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Hybrid SCC-DFTB/molecular mechanical studies of H-bonded systems and of N-acetyl-( L-Ala)<sub> n</sub> N′-methylamide helices in water solution.
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- International Journal of Quantum Chemistry, 2000, v. 78, n. 6, p. 459, doi. 10.1002/(SICI)1097-461X(2000)78:6<459::AID-QUA7>3.0.CO;2-R
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