TALK:
P. Luger, R. Kalinowski (eingeladener Vortrag]:
Experimentelle Elektronendichtebestimmung in den Life-Sciences: von kleinen zu großen Molekülen.
GDCh-Wissenschaftsforum Chemie 2007, 16.-19- September 2007, in Ulm.
TALK:
C. B. Hübschle, B. Dittrich, M.Messerschmidt, P. Luger:
Vergleich der Elektronendichte einiger Nukleoside und eines Watson & Crick-Basenpaars.
15. Jahrestagung der Deutschen Gesellschaft für Kristallographie (DGK) in Bremen, 5.-9. März 2007.
TALK:
S. Mebs:
Experimental Charge Density of Bioorganic Compounds
Topological Analyses of Intra- and Intermolecular Interactions.
Graduiertenkolleg 788: '''Wasserstoffbrücken und Wasserstofftransfer'', 17.1.2007, Berlin.
POSTER:
S. Mebs, T. Koritsanszky, B.Dittrich and Peter Luger:
Experimental Electron Densities of Vitamin B12 and its biologically active derivatives AdoCbl
and MeCbl.
Gordon Research Conference on Electron Distribution and Chemical Bonding: Dynamics and Densities, 1-6 July 2007, Mount Holyoke College , South Hadley, MA, USA.
POSTER:
S. Grabowsky, T. Pfeuffer, W. Morgenroth, C. Paulmann, T. Schirmeister, P. Luger:
An Experimental Electron Density and ELF Study of Protease Inhibitor Model Compounds.
Gordon Research Conference on Electron Distribution and Chemical Bonding: Dynamics and Densities, 1-6 July 2007, Mount Holyoke College , South Hadley, MA, USA.
POSTER:
S. Grabowsky, P. Luger, T. Pfeuffer, L. Checinska, M. Weber, W. Morgenroth, T. Schirmeister:
Correlation of Molecular Properties from Experimentally Derived Electron Density with Biological Activity - A Protease Inhibitor Model Compound.
Frontiers in Medicinal Chemistry (medchem 2007), Joint German-Swiss Meeting on Medicinal Chemistry,
Berlin, March 18-21, 2007.
POSTER:
R. Kalinowski, P. Luger:
Vergleichende topologische Analyse von Wasserstoffbrückenbindungen im Multipol-,
Invariom- und Independent Atom Modell am Beispiel von L-Alanyl-L-Prolyl- L-Alanin.
15. Jahrestagung der Deutschen Gesellschaft für Kristallographie (DGK) in Bremen, 5.-9. März 2007.
POSTER:
P. Luger, S. Grabowsky, T. Pfeuffer, L. Checinska, M. Weber, W. Morgenroth, T. Schirmeister:
Elektronendichte und Drug-Design: Protease-Inhibitor-Modellverbindungen.
15. Jahrestagung der Deutschen Gesellschaft für Kristallographie (DGK) in Bremen, 5.-9. März 2007.
POSTER:
S. Grabowsky, P. Luger, T. Pfeuffer, L. Checinska, M. Weber, W. Morgenroth, T. Schirmeister:
Application of ELF to a Protease Inhibitor Model Compound:
Preliminary Results.
DGK AK14 Workshop in Aachen, Februar 2007.
A. Hofmann, R. Kalinowski, P. Luger and S. van Smaalen:
Accurate charge density of the tripeptide Ala-Pro-Ala with the maximum entropy method (MEM): influence of the data resolution.
Acta Cryst. B63 (2007), 633-643.
D. Förster, S. Scheins, P. Luger, D. Lentz, W. Preetz:
Electron Density and Bonding at Borates: An Experimental Study of Tetrabutylammonium Heptahydrohexaborate [N(C4H9)4][B6H7].
Eur. J. Inorg. Chem. (2007),3169-3172.
P. Luger:
Fast Electron Density Methods in the Life Sciences - A Routine Application in the Future?
Org. Biomol. Chem. 5 (2007), 2529-2540.
D. M. M. Jaradat, S. Mebs, L. Checinska, P. Luger:
Experimental Charge Density of Sucrose at 20 K: Bond topological, atomic and
intermolecular quantitative properties.
Carboh. Res. 342 (2007), 1480-1489.
S. Grabowsky, T., Pfeuffer, L. Checinska, M. Weber, W. Morgenroth, P. Luger, T. Schirmeister:
Electron-Density Determination of Electrophylic
Building Blocks as Model Compounds for Protease Inhibitors.
Eur. J. Org. Chem. (2007), 2759-2768.
C. B. Hübschle, P. Luger, B. Dittrich:
Automation of invariom and of experimental charge density modelling of organic molecules with the preprocessor program Invariom Tool.
J. Appl. Cryst. 40 (2007), 623-627.
B. Dittrich, T. Koritsanszky, A. Volkov, S. Mebs, P. Luger:
Novel approaches to the experimental charge density of vitamin B12.
Angew. Chem., 119 (2007), 2993-2996.
Angew. Chem. Int. Ed. Engl., 46 (2007), 2935-2938.
D. Förster, A. Wagner, C. B. Hübschle, C.Paulmann, P. Luger:
Charge density of L-Alanyl-glycyl-L-alanin; based on data collection from 4 to 130 hours
Charge density of L-Alanyl-glycyl-L-alanin.
Zeit. Naturfosch. B (2007), 62b, 696-704.
S. Scheins, M. Messerschmidt, B. Dittrich, W. Morgenroth, C. Paulmann and P. Luger:
Charge Density Analysis of Opioids: A Comparative Study.
J. Phys. Chem. A111 (2007), 5499-5508.
P. Luger, B. Dittrich:
Fragment Transferability Studied Theoretically and Experimentally with QTAIM -
Implications for Electron Density and Invariom Modelling.
Kap. 12 des Buches "The Quantum Theory of Atoms in Molecules",
edited by C. F. Matta and R. J. Boyd, Wiley-VCH Verlag GmbH & Co. KGaA,
Weinheim, 2007, pp. 317 - 342.
C. B. Hübschle, S. Scheins, M. Weber, P.
Luger, A. Wagner, T. Koritsanszky, S. I.Troyanov:
Bond Orders and Atomic Properties of the Highly Deformed Halogenated
Fullerenes C60F18 and C60Cl30 Derived from their Charge
Densities.
Chem. Eur. J., 13 (2007), 1910-1920.