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Publications 2013

Journal Article
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Dominant-negative effects in prion diseases: insights from molecular dynamics simulations on mouse prion protein chimeras
Journal of biomolecular structure & dynamics: JBSD 31(8), 829-840 (2013) [10.1080/07391102.2012.712477] BibTeX | EndNote: XML, Text | RIS

Journal Article
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A Molecular Dynamics Simulation-Based Interpretation of Nuclear Magnetic Resonance Multidimensional Heteronuclear Spectra of α-Synuclein·Dopamine Adducts
Biochemistry 52(38), 6672 - 6683 (2013) [10.1021/bi400367r]  GO  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

Journal Article
(Corresponding Author)
Ligand Binding on Intrinsic Disordered Proteins: Focus on Human Alpha-Synuclein
Biophysical journal 104(2), 379a (2013) [10.1016/j.bpj.2012.11.2111]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

Journal Article
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Computational Studies on the Prion Protein
Current topics in medicinal chemistry 13(19), 2419 - 2431 (2013) [10.2174/15680266113136660170]  GO BibTeX | EndNote: XML, Text | RIS

Journal Article
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Molecular recognition of DNA by ligands: Roughness and complexity of the free energy profile
The journal of chemical physics 139(14), 145102 - (2013) [10.1063/1.4824106]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

Journal Article
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Publisher's Note: “Molecular recognition of DNA by ligands: Roughness and complexity of the free energy profile” [J. Chem. Phys. 139, 145102 (2013)]
The journal of chemical physics 139(22), 229901 - (2013) [10.1063/1.4843495] BibTeX | EndNote: XML, Text | RIS

Journal Article
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Role of the Membrane Dipole Potential for Proton Transport in Gramicidin A Embedded in a DMPC Bilayer
Journal of chemical theory and computation 9(8), 3826 - 3831 (2013) [10.1021/ct400374n]  GO  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

Journal Article/Review
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Structure/Function Relationships of Phospholipases C Beta
Current protein & peptide science 14(8), 650 - 657 (2013) [10.2174/13892037113146660085]  GO BibTeX | EndNote: XML, Text | RIS

Journal Article
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Ion Permeation in the NanC Porin from Escherichia coli: Free Energy Calculations along Pathways Identified by Coarse-Grain Simulations
The journal of physical chemistry / B 117(43), 13534 - 13542 (2013) [10.1021/jp4081838]  GO  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

Journal Article
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GOMoDo: A GPCRs Online Modeling and Docking Webserver
PLoS one 8(9), e74092 - (2013) [10.1371/journal.pone.0074092] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article/Review
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Theoretical optical spectroscopy of complex systems
Journal of electron spectroscopy and related phenomena 189 S, 46 - 55 (2013) [10.1016/j.elspec.2013.02.002]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

Journal Article
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Coarse-Grained/Molecular Mechanics of the TAS2R38 Bitter Taste Receptor: Experimentally-Validated Detailed Structural Prediction of Agonist Binding
PLoS one 8(5), e64675 - (2013) [10.1371/journal.pone.0064675] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article
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Conformational Fluctuations of UreG, an Intrinsically Disordered Enzyme
Biochemistry 52(17), 2949 - 2954 (2013) [10.1021/bi4001744]  GO  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

Journal Article
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RNA/Peptide Binding Driven by Electrostatics—Insight from Bidirectional Pulling Simulations
Journal of chemical theory and computation 9(3), 1720 - 1730 (2013) [10.1021/ct3009914]  GO  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

Journal Article
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Localizing the Charged Side Chains of Ion Channels within the Crowded Charge Models
Journal of chemical theory and computation 9(1), 766 - 773 (2013) [10.1021/ct300768j]  GO  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

Journal Article
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Structural prediction of a rhodamine-based biosensor and comparison with biophysical data
Physical chemistry, chemical physics 15(6), 2177 - 2183 (2013) [10.1039/C2CP42396K]  GO  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

Contribution to a book
(Editor) ; (Corresponding Author) ;
Molecular Simulations of NGF Protein
Encyclopedia of Biophysics / Roberts, Gordon C. K. (Editor) Chapter 792 ; ISBN: 978-3-642-16711-9 ; doi:10.1007/978-3-642-16712-6 Berlin, Heidelberg : Springer Berlin Heidelberg, 1590 - 1593 (2013) [10.1007/978-3-642-16712-6_792] BibTeX | EndNote: XML, Text | RIS


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