Sándor Suhai

发表

The Helmholtz Network for Bioinformatics: an integrative web portal for bioinformatics resources

Martin Vingron, Christian von Mering, Ines Liebich, 2004, Bioinform..

Assembly of Genomic Sequences Assisted by Automatic Finishing

Thomas Wetter, Sándor Suhai, Bastien Chevreux, 1999, German Conference on Bioinformatics.

Extension of SCF and DFT versions of chemical Hamiltonian approach to N interacting subsystems and an algorithm for their efficient implementation

Sándor Suhai, Béla Paizs, S. Suhai, 1997, J. Comput. Chem..

ESTAnnotator: a tool for high throughput EST annotation

Peter Ernst, Sándor Suhai, Karl-Heinz Glatting, 2003, Nucleic Acids Res..

Genetic Algorithms in Protein Structure Prediction

Sándor Suhai, Frank Herrmann, 1994 .

Publication list of Professor Sándor Suhai

Sándor Suhai, 2010 .

Efficient Implementation of Empirical Force Fields for Genetic Algorithm Molecular Structure Optimization

Paul Levi, Sándor Suhai, Frank Herrmann, 1996, German Conference on Bioinformatics.

Applying Support Vector Machines for Gene ontology based gene function prediction

Roland Eils, Rainer König, Sándor Suhai, 2004, BMC Bioinformatics.

Automatic detection of exonic splicing enhancers (ESEs) using SVMs

Sándor Suhai, Alexander Rainer Tassilo Gepperth, Agnes Hotz-Wagenblatt, 2008, BMC Bioinformatics.

The German EMBnet node and genomic databases

Karl-Heinz Glatting, Sándor Suhai, Michaela Knapp-Mohammady, 2002 .

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

Sándor Suhai, Pedro Salvador, Béla Paizs, 2001, J. Comput. Chem..

The German EMBnet Node: GENIUSnet

Coral del Val, Karl-Heinz Glatting, Mark van der Linden, 2001, German Conference on Bioinformatics.

The Biocomputing Service Group at the DKFZ

Peter Ernst, Sándor Suhai, Karl-Heinz Glatting, 1999, German Conference on Bioinformatics.

Genomics and Proteomics

Sándor Suhai, S. Suhai, 2002, Springer US.

Protein Fold Class Prediction: New Methods of Statistical Classification

Martin Reczko, Sándor Suhai, Janet Grassmann, 1999, ISMB.

Computational Methods in Genome Research

Sándor Suhai, S. Suhai, 1994, Springer US.

Extension of SCF and DFT versions of chemical Hamiltonian approach to N interacting subsystems and an algorithm for their efficient implementation

Sándor Suhai, Béla Paizs, 1997, J. Comput. Chem..

Comparative study of BSSE correction methods at DFT and MP2 levels of theory

Sándor Suhai, Béla Paizs, S. Suhai, 1998, J. Comput. Chem..

PATH: a task for the inference of phylogenies

Coral del Val, Peter Ernst, Sándor Suhai, 2002, Bioinform..

Automatic Assembly and Editing of Genomic Data

Sándor Suhai, Bastien Chevreux, Thomas Pfisterer, 2002 .

Abstract Resource Language and an Example for its Application in Molecular Biology

Otto Ritter, Jonathan Karges, Sándor Suhai, 1996, German Conference on Bioinformatics.

GOPET: A tool for automated predictions of Gene Ontology terms

Roland Eils, Rainer König, Coral del Val, 2006, BMC Bioinformatics.

Genome Sequence Assembly Using Trace Signals and Additional Sequence Information

Thomas Wetter, Sándor Suhai, Bastien Chevreux, 1999, German Conference on Bioinformatics.

A theoretical study of structures and electron affinities of radical anions of guanine‐cytosine, adenine‐thymine, and hypoxanthine‐cytosine base pairs

Anil Kumar, Sándor Suhai, P. C. Mishra, 2004, J. Comput. Chem..

W2H: WWW interface to the GCG sequence analysis package

Peter Ernst, Karl-Heinz Glatting, Sándor Suhai, 1998, Bioinform..

EST Clustering at GENIUSnet, the German EMBnet node

Ge Zhang, Martin Ebeling, Peter Ernst, 1998, German Conference on Bioinformatics.

Gigabytes liber Gigabasen - Informationsintegration in der Genomforschung

Otto Ritter, Sándor Suhai, 1996, Informationstechnik Tech. Inform..

cDNA2Genome: A tool for mapping and annotating cDNAs

Coral del Val, Sándor Suhai, Karl-Heinz Glatting, 2003, BMC Bioinformatics.

ProtSweep, 2Dsweep and DomainSweep: protein analysis suite at DKFZ

Coral del Val, Peter Ernst, Karl-Heinz Glatting, 2007, Nucleic Acids Res..

A parallel neural network simulator on the connection machine CM-5

Andreas Zell, Martin Reczko, Artemis G. Hatzigeorgiou, 1995, Comput. Appl. Biosci..

Computer assisted editing of genomic sequences

Thomas Wetter, Sándor Suhai, Bastien Chevreux, 1998, German Conference on Bioinformatics.

On the effect of the BSSE on intermolecular potential energy surfaces. Comparison of a priori and a posteriori BSSE correction schemes

Sándor Suhai, Pedro Salvador, Béla Paizs, 2001, J. Comput. Chem..

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

Sándor Suhai, Tibor Nagy, Endre Sebestyén, 2009, BMC Bioinformatics.

Energy minimization of peptide analogues using genetic algorithms

Sándor Suhai, Frank Herrmann, S. Suhai, 1995, J. Comput. Chem..

W2H: a WWW Interface to Applications in Bioinformatics

Martin Senger, Peter Ernst, Sándor Suhai, 1999, German Conference on Bioinformatics.

Conformational and energetic properties of the ammonia dimer - comparison of post-Hartree - Fock and density functional methods

Sándor Suhai, Martina Kieninger, 1996, J. Comput. Chem..

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

Stefan Wiemann, Coral del Val, Peter Ernst, 2006, BMC Bioinformatics.

A task framework for the web interface W2H

Peter Ernst, Sándor Suhai, Karl-Heinz Glatting, 2003, Bioinform..

Design and implementation of a parallel pipe

Otto Ritter, Jonathan Karges, Sándor Suhai, 1997, OPSR.

N-Acetyl-L-alanine N'-methylamide: a density functional analysis of the vibrational absorption and vibrational circular dichroism spectra

Sándor Suhai, Karl J. Jalkanen, S. Suhai, 1996 .

Fragmentation Pathways of Protonated Peptides

Sándor Suhai, Béla Paizs, S. Suhai, 2006 .

Structures, vibrational absorption and vibrational circular dichroism spectra of L-alanine in aqueous solution: a density functional theory and RHF study

Sándor Suhai, Henrik Bohr, Karl J. Jalkanen, 2000 .

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

Pavel Hobza, Sándor Suhai, Ota Bludský, 1999 .

SCC-DFTB-D study of intercalating carcinogens: Benzo(a)pyrene and its metabolites complexed with the G-C base pair

Sándor Suhai, Marcus Elstner, S. Suhai, 2003 .

BSSE‐corrected geometry and harmonic and anharmonic vibrational frequencies of formamide–water and formamide–formamide dimers

Sándor Suhai, S. Suhai, A. Bende, 2005 .

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

Thomas Frauenheim, Aldo Di Carlo, Sándor Suhai, 2002 .

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

Sándor Suhai, E. Tajkhorshid, S. Suhai, 1999 .

Role of Isomerization Barriers in the pKa Control of the Retinal Schiff Base: A Density Functional Study

Sándor Suhai, Béla Paizs, E. Tajkhorshid, 1999 .

DFT studies on helix formation in N-acetyl-(L-alanyl)n-N′-methylamide for n=1–20

Sándor Suhai, Karl J. Jalkanen, Marcus Elstner, 2000 .

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

Sándor Suhai, Béla Paizs, György Lendvay, 1999 .

Role and Results of statistical methods in protein fold class prediction

Sándor Suhai, Lutz Edler, J. Grassmann, 2001 .

Self Consistent-Charge Density-Functional Tight-Binding Method for Simulations of Biological Molecules

Sándor Suhai, Dirk V. Porezag, Gotthard Seifert, 1998 .

Fragmentation pathways of protonated peptides.

Sándor Suhai, Béla Paizs, S. Suhai, 2005, Mass spectrometry reviews.

An approximate DFT method for QM/MM simulations of biological structures and processes

Thomas Frauenheim, Sándor Suhai, Marcus Elstner, 2003 .

L-Alanyl-L-alanine in the zwitterionic state: structures determined in the presence of explicit water molecules and with continuum models using density functional theory

Rebecca C. Wade, Sándor Suhai, Karl J. Jalkanen, 1999 .

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

Sándor Suhai, Pedro Salvador, Béla Paizs, 2001 .

A comparative study of MP2, B3LYP, RHF and SCC-DFTB force fields in predicting the vibrational spectra of N-acetyl-L-alanine-N'-methyl amide: VA and VCD spectra

Sándor Suhai, Henrik Bohr, Karl J. Jalkanen, 1999 .

A Self-Consistent Charge Density-Functional Based Tight-Binding Scheme for Large Biomolecules

Efthimios Kaxiras, Sándor Suhai, Gotthard Seifert, 2000 .

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

Sándor Suhai, E. Tajkhorshid, S. Suhai, 1999 .

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

Sándor Suhai, Béla Paizs, S. Suhai, 2002, Rapid communications in mass spectrometry : RCM.

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

Sándor Suhai, E. Tajkhorshid, S. Suhai, 1999 .

Vibrational spectroscopy and conformational structure of protonated polyalanine peptides isolated in the gas phase.

Sándor Suhai, Béla Paizs, J. Simons, 2008, The journal of physical chemistry. A.

A Self‐Consistent Charge Density‐Functional Based Tight‐Binding Method for Predictive Materials Simulations in Physics, Chemistry and Biology

Sándor Suhai, Dirk V. Porezag, Gotthard Seifert, 2000 .

Towards understanding the tandem mass spectra of protonated oligopeptides. 1: Mechanism of amide bond cleavage

Sándor Suhai, Béla Paizs, S. Suhai, 2004, Journal of the American Society for Mass Spectrometry.

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

Thomas Frauenheim, Sándor Suhai, Karl J. Jalkanen, 2001 .

A density functional elongation method for the theoretical synthesis of aperiodic polymers

Yuriko Aoki, Sándor Suhai, Akira Imamura, 1994 .

A Selfconsistent-Charge Density-Functional Tight-Binding Scheme

Sándor Suhai, Dirk V. Porezag, Gotthard Seifert, 1997 .

Electronic effects on the ground-state rotational barrier of polyene Schiff bases: A molecular orbital study

Sándor Suhai, Béla Paizs, Emadeddin Tajkhorshid, 1999 .

Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment

Thomas Frauenheim, Pavel Hobza, Efthimios Kaxiras, 2001 .

The dielectric effect of the environment on the p K a of the retinal Schiff base and on the stabilization of the ion pair in bacteriorhodopsin

Sándor Suhai, Emad Tajkhorshid, E. Tajkhorshid, 2000 .

Density functional computational thermochemistry: determination of the enthalpy of formation of sulfine, CH2SO, at room temperature

Sándor Suhai, Raul E. Cachau, Oscar N. Ventura, 2000 .

Amino Acids and Small Peptides as Building Blocks for Proteins: Comparative Theoretical and Spectroscopic Studies

Sándor Suhai, Karl J. Jalkanen, Marcus Elstner, 2004 .

Hybrid SCC-DFTB/molecular mechanical studies of H-bonded systems and ofN-acetyl-(L-Ala)nN?-methylamide helices in water solution

Thomas Frauenheim, Sándor Suhai, Karl J. Jalkanen, 2000 .

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

Sándor Suhai, Béla Paizs, S. Suhai, 2000 .

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

Pavel Hobza, Sándor Suhai, Marcus Elstner, 2002 .

Comparative study of BSSE correction methods at DFT and MP2 levels of theory

Sándor Suhai, Béla Paizs, 1998 .

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

Sándor Suhai, Karl J. Jalkanen, Wen-Ge Han, 1998 .

Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties

Sándor Suhai, Gotthard Seifert, Marcus Elstner, 1998 .

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.

Pavel Hobza, Sándor Suhai, Martin Kabelác, 2003, Journal of the American Chemical Society.