Zentralinstitut für Scientific Computing (ZISC)

Adresse:
Martensstraße 5a
91058 Erlangen


Forschungsprojekt(e)


P&G SimCenter: P&G SimCenter
PD Dr. rer. nat. Harald Lanig
(23.05.2014 - 22.05.2015)



Publikationen (Download BibTeX)

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Lanig, H., Utz, W., Gmeiner, P., & Lanig, H. (2001). Comparative Molecular Field Analysis of Dopamine D4 Receptor Antagonists Including 3-[4-(4-Chlorophenyl)piperazin-1-ylmethyl]pyrazolo[1,5-a]pyridine (FAUC 113), 3-[4-(4-Chlorophenyl)piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine (L-745,870), and Clozapine. Journal of Medicinal Chemistry, 44, 1151-1157. https://dx.doi.org/10.1021/jm001055e
Schmidt, S., Bauer, W., Heinemann, F., Lanig, H., & Grohmann, A. (2000). Spontaneous Assembly of a Schiff Base Tetramacrocycle. Angewandte Chemie International Edition, 39(5), 913-916. https://dx.doi.org/10.1002/(SICI)1521-3773(20000303)39:5%3C913::AID-ANIE913%3E3.0.CO;2-Y
Schürer, G., Lanig, H., Clark, T., & Lanig, H. (2000). The mode of action of phospholipase A(2): Semiempirical MO calculations including the protein environment. Journal of Physical Chemistry B, 104(6), 1349-1361. https://dx.doi.org/10.1021/jp993330i
Grohmann, A., Lanig, H., Bauer, W., Schmidt, S., & Heinemann, F. (2000). Molecular dynamics of a Schiff base tetramacrocycle studied by NMR and MD simulations. Journal of Molecular Modeling, 6(2), 119-125. https://dx.doi.org/10.1007/PL00010723
Lanig, H., Hof, M., Bringmann, G., & Schneider, F. (1997). Time-resolved fluorescence spectroscopy of helically distorted aromatic systems. Chemical Physics Letters, 272(5-6), 478-483. https://dx.doi.org/10.1016/S0009-2614(97)00540-X
Lanig, H., Hutterer, R., Schneider, F.W., & Hof, M. (1997). Solvent relaxation behaviour of n-anthroyloxy fatty acids in PC-vesicles and paraffin oil: a time-resolved emission spectra study. BBA - Biochimica et Biophysica Acta, 1323(2), 195-207. https://dx.doi.org/10.1016/S0005-2736(96)00186-1
Clark, T., Gedeck, P., Lanig, H., & Schürer, G. (1997). Semi-empirical MO calculations on enzyme reaction mechanisms. In L. Banci, P. Comba (Eds.), Molecular Modeling and Dynamics of Bioinorganic Systems. (pp. 307-317). Dordrecht: Kluwer Academic Publishers.
Käb, G., Engel, T., Lanig, H., & Schneider, F. (1995). The Inverted Region of Electron Transfer in Intramolecular Fluorescence Quenching of Quinolinium Betaines. Berichte der Bunsengesellschaft für physikalische Chemie, 99(2), 118-126. https://dx.doi.org/10.1002/bbpc.19950990205
Lanig, H., Engel, T., Käb, G., & Schneider, F. (1995). Fluorescence quenching by electron transfer in quinolinium betaines. Semiempirical and experimental studies. Chemical Physics Letters, 235, 58-64. https://dx.doi.org/10.1016/0009-2614(95)00078-I
Kastenholz, F., Grell, E., Bats, J., Quinkert, G., Brand, C., Lanig, H., & Schneider, F.W. (1994). Fluorescence studies and semiempirical calculations on alkali ion indicators. Journal of Fluorescence, 4, 243-246. https://dx.doi.org/10.1007/BF01878457
Lanig, H., Hof, M., Stahl, T., & Schneider, F. (1994). Intramolecular Deactivation of Substituted Quinolinium Cations. Time-resolved Fluorescence and Semi-empirical Calculations. Chemical Physics Letters, 220, 423-428. https://dx.doi.org/10.1016/0009-2614(94)00204-5


Zusätzliche Publikationen (Download BibTeX)


Werner, S., Stingl, M., & Leugering, G. (2017). Model-based control of dynamic frictional contact problems using the example of hot rolling. Computer Methods in Applied Mechanics and Engineering, 319, 442-471. https://dx.doi.org/10.1016/j.cma.2017.03.006
Sasaki, T., Hanisch, F.-G., Deutzmann, R., Sakai, L.Y., Sakuma, T., Miyamoto, T.,... Mark, K. (2016). Functional consequence of fibulin-4 missense mutations associated with vascular and skeletal abnormalities and cutis laxa. Matrix Biology, 56, 132-149. https://dx.doi.org/10.1016/j.matbio.2016.06.003
Lanig, H., Reisen, F., Whitley, D., Schneider, G., Banting, L., & Clark, T. (2015). In Silico Adoption of an Orphan Nuclear Receptor NR4A1. PLoS ONE, 10(8). https://dx.doi.org/10.1371/journal.pone.0135246
Rusu, C.F., Lanig, H., Othersen, O., Kryschi, C., & Clark, T. (2008). Monitoring biological membrane-potential changes: A CI QM/MM study. Journal of Physical Chemistry B, 112(8), 2445-2455. https://dx.doi.org/10.1021/jp075372+

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