2007 |
11 | EE | Rungtiwa Chidthong,
Supa Hannongbua,
Adélia J. A. Aquino,
Peter Wolschann,
Hans Lischka:
Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigation.
Journal of Computational Chemistry 28(10): 1735-1742 (2007) |
2004 |
10 | EE | Assia Kovatcheva,
Alexander Golbraikh,
Scott Oloff,
Yun-De Xiao,
Weifan Zheng,
Peter Wolschann,
Gerhard Buchbauer,
Alexander Tropsha:
Combinatorial QSAR of Ambergris Fragrance Compounds.
Journal of Chemical Information and Modeling 44(2): 582-595 (2004) |
2003 |
9 | EE | Assia Kovatcheva,
Gerhard Buchbauer,
Alexander Golbraikh,
Peter Wolschann:
QSAR Modeling of alpha-Campholenic Derivatives with Sandalwood Odor.
Journal of Chemical Information and Computer Sciences 43(1): 259-266 (2003) |
8 | EE | Suwipa Saen-oon,
Supa Hannongbua,
Peter Wolschann:
Structural Flexibility of Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitor: 9-Cl TIBO as Explained by Potential Energy Surface and 13C and 1H NMR Calculations, Based on ab initio and Density Functional Study.
Journal of Chemical Information and Computer Sciences 43(5): 1412-1422 (2003) |
2002 |
7 | EE | Johanna Klocker,
Bettina Wailzer,
Gerhard Buchbauer,
Peter Wolschann:
Bayesian Neural Networks for Aroma Classification.
Journal of Chemical Information and Computer Sciences 42(6): 1443-1449 (2002) |
6 | EE | Christian Th. Klein,
Norbert Kaiblinger,
Peter Wolschann:
Internally defined distances in 3D-quantitative structure-activity relationships.
Journal of Computer-Aided Molecular Design 16(2): 79-93 (2002) |
2001 |
5 | EE | Supa Hannongbua,
Kanda Nivesanond,
Luckhana Lawtrakul,
Pornpan Pungpo,
Peter Wolschann:
3D-Quantitative Structure-Activity Relationships of HEPT Derivatives as HIV-1 Reverse Transcriptase Inhibitors, Based on Ab Initio Calculations.
Journal of Chemical Information and Computer Sciences 41(3): 848-855 (2001) |
1999 |
4 | EE | Supa Hannongbua,
Pornpan Pungpo,
Jumras Limtrakul,
Peter Wolschann:
Quantitative structure-activity relationships and comparative molecular field analysis of TIBO derivatised HIV-1 reverse transcriptase inhibitors.
Journal of Computer-Aided Molecular Design 13(6): 563-577 (1999) |
1998 |
3 | EE | Christian Th. Klein,
Bernd Mayer,
Gottfried Köhler,
Peter Wolschann:
Systematic stepsize variation: Efficient method for searching conformational space of polypeptides.
Journal of Computational Chemistry 19(13): 1470-1481 (1998) |
2 | EE | Somsak Tonmunphean,
Sirirat Kokpol,
Vudhichai Parasuk,
Peter Wolschann,
Rudolf H. Winger,
Klaus R. Liedl,
Bernd M. Rode:
Comparative molecular field analysis of artemisinin derivatives: Ab initio versus semiempirical optimized structures.
Journal of Computer-Aided Molecular Design 12(4): 397-409 (1998) |
1992 |
1 | | Gerhard Buchbauer,
Susanne Winiwarter,
Peter Wolschann:
Surface comparisons of some odour molecules: Conformational calculations on sandalwood odour V.
Journal of Computer-Aided Molecular Design 6(6): 583-592 (1992) |