Publications
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2003. Nanoscopic liquid bridges exposed to a torsional strain. Physical Review E. 68:066103.
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2003. Nonequilibrium molecular-dynamics study of the vibrational energy relaxation of peptides in water. J. Chem. Phys.. 119:11350–11358.
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2003. The position of Q B in the photosynthetic reaction center depends on pH: A theoretical analysis of the proton uptake upon Q B reduction. Biophys. J.. 84:2090–2098.
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2003. Role of supersecondary structural elements in protein G folding. J. Chem. Phys.. 119:4940–4944.
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2003. Sampling the complex energy landscape of a simple beta-hairpin. J. Chem. Phys.. 119:6403–6406.
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2003. Theoretical studies on lanthanide cation extraction by picolinamides: Ligand-cation interactions and interfacial behavior. Solvent Extr. Ion Exch.. 21:199–220.
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2003. Titration \em in silico of reversible B$łeftrightarrow$A transitions in DNA. J. Am. Chem. Soc.. 125:7849–7859.
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2004. The antitumor properties of the alpha 3(IV)-(185-203) peptide from the NC1 domain of type IV collagen (tumstatin) are conformation-dependent. J. Biol. Chem.. 279:2091–2100.
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2004. Combining Applications and Databases Integration Approaches in a Common Distributed Genomic Platform. International CODATA Conference, The Information Society: New Horizons for Science.
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2004. Complex folding pathways in a simple beta-hairpin. Proteins: Struct., Funct., Bioinf.. 56:464–474.
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2004. Conformational sampling and dynamics of membrane proteins from 10-nanosecond computer simulations. Proteins: Struct., Funct., Bioinf.. 57:783–791.
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2004. Conformational transitions in proteins and membranes. Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations. :485–502.
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2004. Critical role of the C-terminal segment in the maturation and export to the cell surface of the homopentameric $\alpha$7–5HT3A receptor. Eur. J. Neurosci.. 20:2022–2030.
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2004. The C-terminal domain of Escherichia coli Hfq increases the stability of the hexamer. Eur. J. Biochem.. 271:1258–1265.
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2004. A Distributed Multimedia Database Visualization within An Immersive Environment for Bioinformatics. International Symposium on Multimedia Software Engineering (ISMSE 2004 - IEEE). :156–159.
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2004. DNA in Virtuo: Visualization and Exploration of 3D Genomic Structures. International Conference on Virtual Reality, Computer Graphics, Visualization and Interaction (Afrigraph 2005 - ACM-SIGRAPH sponsored).
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2004. DNA in Virtuo: Visualization and Virtual Manipulation of 3D Genomic Structures. International CODATA Conference, The Information Society: New Horizons for Science.
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2004. Early steps of amyloid-petide oligomerisation explored by simulations. Neurobiol. Aging. 25:S143.
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2004. Exploration by visualization of numerical and textual genomic data. Journal of Biological Physics and Chemistry. 4:102–110.
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2004. Exploring the early steps of aggregation of amyloid-forming peptide KFFE. Journal of Physics-condensed Matter. 16:S5047-S5054.
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2004. GenoMEDIA, a Midlleware Platform for Distributed Genomic Information. International Conference on Information & Communication Technologies: from Theory to Applications (ICTTA 2004 - IEEE).
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2004. Helix H1 of the prion protein is rather stable against environmental perturbations: molecular dynamics of mutation and deletion variants of PrP(90-231). Cell. Mol. Life Sci.. 61:951–960.
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2004. Identification of the subunit-subunit interface of Xenopus Rad51.1 protein: Similarity to RecA. J. Mol. Biol.. 335:895–904.
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2004. Immersive Graph-based Visualization and Exploration of Biological Data. International CODATA Conference - The Information Society: New Horizons for Science.
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2004. In silico assembly of Alzheimer's A beta(16-22) peptide into beta-sheets. J. Am. Chem. Soc.. 126:11509–11516.