Search

link to homepage

Institute for Advanced Simulation (IAS)

Navigation and service


Publications 2015

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
Structural predictions of neurobiologically relevant G-protein coupled receptors and intrinsically disordered proteins
Archives of biochemistry and biophysics 582, 91–100 () [10.1016/j.abb.2015.03.011]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
Molecular Basis for Structural Heterogeneity of an Intrinsically Disordered Protein Bound to a Partner by Combined ESI-IM-MS and Modeling
Journal of the American Society for Mass Spectrometry 26(3), 472 - 481 () [10.1007/s13361-014-1048-z]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
Structure and Dynamics of Oligonucleotides in the Gas Phase
Angewandte Chemie / International edition 54(2), 467–471 () [10.1002/anie.201406910]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
Copper Binding to the N-Terminally Acetylated, Naturally Occurring Form of Alpha-Synuclein Induces Local Helical Folding
Journal of the American Chemical Society 137(20), 6444 - 6447 () [10.1021/jacs.5b01911]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
Adaptation of Extremophilic Proteins with Temperature and Pressure: Evidence from Initiation Factor 6
The journal of physical chemistry <Washington, DC> / B 119(25), 7860 - 7873 () [10.1021/acs.jpcb.5b02034]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
Evidence for a Transient Additional Ligand Binding Site in the TAS2R46 Bitter Taste Receptor
Journal of chemical theory and computation 11(9), 4439 - 4449 () [10.1021/acs.jctc.5b00472]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Conference Presentation (Invited)
Statistical mechanical models for cation selectivity in biological channels
CECAM Workshop: Computational approaches to chemical senses, JülichJülich, Germany, 9 Sep 2015 - 11 Sep 20152015-09-092015-09-11 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
Binding of the Antagonist Caffeine to the Human Adenosine Receptor hA2AR in Nearly Physiological Conditions
PLoS one 10(5), e0126833 () [10.1371/journal.pone.0126833] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
Cation Selectivity in Biological Cation Channels Using Experimental Structural Information and Statistical Mechanical Simulation
PLoS one 10(10), e0138679 - () [10.1371/journal.pone.0138679] OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
Molecular View of Ligands Specificity for CAG Repeats in Anti-Huntington Therapy
Journal of chemical theory and computation 11(10), 4911 - 4922 () [10.1021/acs.jctc.5b00208]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
The structural impact of DNA mismatches
Nucleic acids symposium series 43(8), 4309 - 4321 () [10.1093/nar/gkv254] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
Insight into the Mechanism of Intramolecular Inhibition of the Catalytic Activity of Sirtuin 2 (SIRT2)
PLoS one 10(9), e0139095 - () [10.1371/journal.pone.0139095] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
Rare FLT3 deletion mutants may provide additional treatment options to patients with AML: an approach to individualized medicine
Leukemia 29(12), 2434 - 2438 () [10.1038/leu.2015.131]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
Computational metallomics of the anticancer drug cisplatin
Journal of inorganic biochemistry 153, 231 - 238 () [10.1016/j.jinorgbio.2015.10.001]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
Structural Determinants for the Binding of Morphinan Agonists to the μ-Opioid Receptor
PLoS one 10(8), e0135998 - () [10.1371/journal.pone.0135998] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Contribution to a book
Characteristics of a σ-Hole and the Nature of a Halogen Bond
Halogen Bonding II / Metrangolo, Pierangelo (Editor) Cham : Springer International Publishing, Topics in Current Chemistry 359, 1 - 25 () [10.1007/128_2014_606]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
The Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition
ACS chemical biology 10(7), 1637 - 1642 () [10.1021/acschembio.5b00151]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
Substrate Specificity, Inhibitor Selectivity and Structure-Function Relationships of Aldo-Keto Reductase 1B15: A Novel Human Retinaldehyde Reductase
PLoS one 10(7), e0134506 - () [10.1371/journal.pone.0134506] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
Polar Flattening and the Strength of Halogen Bonding
Journal of chemical theory and computation 11(10), 4727 - 4732 () [10.1021/acs.jctc.5b00687]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
An optimized polyamine moiety boosts the potency of human type II topoisomerase poisons as quantified by comparative analysis centered on the clinical candidate F14512
Chemical communications 51(76), 14310 - 14313 () [10.1039/C5CC05065K] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
Novel angiogenin mutants with increased cytotoxicity enhance the depletion of pro-inflammatory macrophages and leukemia cells ex vivo
Cancer immunology immunotherapy 64(12), 1575 - 1586 () [10.1007/s00262-015-1763-8]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article
Rational approach to an antiprion compound with a multiple mechanism of action
Future medicinal chemistry 7(16), 2113 - 2120 () [10.4155/fmc.15.79] BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Contribution to a book
Engineered Versions of Granzyme B and Angiogenin Overcome Intrinsic Resistance to Apoptosis Mediated by Human Cytolytic Fusion Proteins
Resistance to Immunotoxins in Cancer Therapy / Verma, Rama Shanker (Editor) ; Cham : Springer International Publishing, 2015, Chapter 8 ; ISSN: 2196-5501=2196-551X ; ISBN: 978-3-319-17274-3=978-3-319-17275-0 ; doi:10.1007/978-3-319-17275-0 Cham : Springer International Publishing, Resistance to Targeted Anti-Cancer Therapeutics 6, 185 - 219 () [10.1007/978-3-319-17275-0_8] BibTeX | EndNote: XML, Text | RIS


Servicemeu

Homepage