Publications of IAS-5/INM-9 in 2010

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Self-similar dynamics of proteins under hydrostatic pressure—Computer simulations and experiments
Biochimica et biophysica acta / Proteins and proteomics Proteins and proteomics [...] 1804(1), 56 - 62 () [10.1016/j.bbapap.2009.05.007] BibTeX | EndNote: XML, Text | RIS

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Fractional protein dynamics seen by nuclear magnetic resonance spectroscopy: Relating molecular dynamics simulation and experiment
The journal of chemical physics 133(14), 145101 - () [10.1063/1.3486195] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Insights into the Binding of Phenyltiocarbamide (PTC) Agonist to Its Target Human TAS2R38 Bitter Receptor
PLoS one 5(8), e12394 - () [10.1371/journal.pone.0012394] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Bioinorganic Chemistry of Parkinson’s Disease: Structural Determinants for the Copper-Mediated Amyloid Formation of Alpha-Synuclein
Inorganic chemistry 49(22), 10668 - 10679 () [10.1021/ic1016752]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Targeting biomolecular flexibility with metadynamics
Current opinion in structural biology 20(2), 148 - 154 () [10.1016/j.sbi.2010.01.011]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Coordination Numbers of K+ and Na+ Ions Inside the Selectivity Filter of the KcsA Potassium Channel: Insights from First Principles Molecular Dynamics
Biophysical journal 98(10), L47 - L49 () [10.1016/j.bpj.2010.01.064]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Hydrogen Bonding Cooperativity in polyQ β-Sheets from First Principle Calculations
Journal of chemical theory and computation 6(6), 1777 - 1782 () [10.1021/ct900476e]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Molecular Dynamics in Physiological Solutions: Force Fields, Alkali Metal Ions, and Ionic Strength
Journal of chemical theory and computation 6(7), 2167 - 2175 () [10.1021/ct9006579]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Discovery of a Class of Diketopiperazines as Antiprion Compounds
ChemMedChem 5(8), 1324 - 1334 () [10.1002/cmdc.201000133] BibTeX | EndNote: XML, Text | RIS

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Computational Study of the DNA-Binding Protein Helicobacter pylori NikR: The Role of Ni 2+
Journal of chemical theory and computation 6(11), 3503 - 3515 () [10.1021/ct900635z]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Spectroscopic Properties of Formaldehyde in Aqueous Solution: Insights from Car−Parrinello and TDDFT/CASPT2 Calculations
Journal of chemical theory and computation 6(11), 3403 - 3409 () [10.1021/ct100384f]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Parallel Synthesis, Evaluation, and Preliminary Structure−Activity Relationship of 2,5-Diamino-1,4-benzoquinones as a Novel Class of Bivalent Anti-Prion Compound
Journal of medicinal chemistry 53(22), 8197 - 8201 () [10.1021/jm100882t]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Structural facets of disease-linked human prion protein mutants: A molecular dynamic study
Proteins 78(16), 3270 - 3280 () [10.1002/prot.22834]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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On the Zwitterionic Nature of Gas-Phase Peptides and Protein Ions
PLoS Computational Biology 6(5), e1000775 () [10.1371/journal.pcbi.1000775] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Last Modified: 12.06.2024