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1

Structure–activity relationships of sandalwood odorants: synthesis and odor of tricyclo β-santalol

Gerhard Buchbauer, Iris Stappen, Claudia Pretterklieber, Peter Wolschann

Journal:

European Journal of Medicinal Chemistry

Year:

2004

Language:

english

File:

PDF, 262 KB

english, 2004

2

Conformational Calculations on Sandalwood Odour, Part XI. Molecular Similarity of Sandalwood Odour Compounds

Gerhard Buchbauer, Alexander Hayn, Elisabeth Liedl, Petra Weiss-Greiler, Peter Wolschann

Journal:

Flavour and Fragrance Journal

Year:

1997

Language:

english

File:

PDF, 195 KB

english, 1997

3

Structure-Activity Relationships of Sandalwood Odorants: Synthesis and Odour of Methyl-β-santalol

Gerhard Buchbauer, Friederike Zcchmeister-Machhart, Petra Weiß-Greilar, Peter Wolschann

Journal:

Archiv der Pharmazie

Year:

1997

Language:

english

File:

PDF, 508 KB

english, 1997

4

ChemInform Abstract: Syntheses in the Isocamphane Series. Part 40. Structure-Activity Relationships of Sandalwood Odorants: Synthesis and Odor of Methyl-. beta.-santalol.

G. BUCHBAUER, F. ZECHMEISTER-MACHHART, P. WEISS-GREILER, P. WOLSCHANN

Journal:

Year:

1997

File:

PDF, 28 KB

1997

5

QSAR Modeling of α-Campholenic Derivatives with Sandalwood Odor

Kovatcheva, A., Buchbauer, G., Golbraikh, A., Wolschann, P.

Journal:

Journal of Chemical Information and Modeling

Year:

2003

Language:

english

File:

PDF, 144 KB

english, 2003

6

Bayesian Neural Networks for Aroma Classification

Klocker, J., Wailzer, B., Buchbauer, G., Wolschann, P.

Journal:

Journal of Chemical Information and Modeling

Year:

2002

Language:

english

File:

PDF, 110 KB

english, 2002

7

Recent Advances in NNRTI Design: Computer-Aided Molecular Design Approaches

Pungpo, Pornpan, Punkvang, Auradee, Saparpakorn, Patchreenart, Wolschann, Peter, Hannongbua, Supa

Journal:

Current Computer - Aided Drug Design

Year:

2009

Language:

english

File:

PDF, 2.03 MB

english, 2009

8

On the odor of the enantiomers of Madrol®

Gerhard Buchbauer, Philippine Lebada, Lucia Wiesinger, Petra Weiss-Greiler, Peter Wolschann

Journal:

Year:

1997

Language:

english

File:

PDF, 235 KB

english, 1997

9

Conformational calculations on sandalwood odour molecules II.1 Force field investigations on β-santalol

Anton Beyer, Peter Wolschann, Armin Becker, Gerhard Buchbauer, Susanne Winiwarter

Journal:

Flavour and Fragrance Journal

Year:

1988

Language:

english

File:

PDF, 329 KB

english, 1988

10

Investigations of the Molecular Surface of a Few Sandalwood-Odor Molecules and Related Structures: Conformational calculations on sandalwood odorants. VI

Gerhard Buchbauer, Karin Leonhardsberger, Susanne Winiwarter, Peter Wolschann

Journal:

Helvetica Chimica Acta

Year:

1992

Language:

english

File:

PDF, 727 KB

english, 1992

11

Conformational Parameters of the Sandalwood-Odor Activity: Conformational calculations on sandalwood odor

Gerhard Buchbauer, Alexander Hillisch, Karin Mraz, Peter Wolschann

Journal:

Helvetica Chimica Acta

Year:

1994

Language:

english

File:

PDF, 1.51 MB

english, 1994

12

Structure-odor relationships of sandalwood odorants: Synthesis of (Z)-7-oxa-β-santalol

Gerhard Buchbauer, Philippine Lebada, Helmut Spreitzer, Peter Wolschann

Journal:

European Journal of Organic Chemistry

Year:

1995

Language:

english

File:

PDF, 495 KB

english, 1995

13

Validation of fluid bed granulation utilizing artificial neural network

Sharareh Salar Behzadi, Johanna Klocker, Herbert Hüttlin, Peter Wolschann, Helmut Viernstein

Journal:

International Journal of Pharmaceutics

Year:

2005

Language:

english

File:

PDF, 421 KB

english, 2005

14

The energy of the intramolecular hydrogen bond in chloro-substituted N-methyl-salicylidene imines

A. Koll, A. Karpfen, P. Wolschann

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 285 KB

english, 2007

15

Structure–activity relationships of sandalwood odorants: Total synthesis and fragrance properties of cyclopropano-β-santalol

Iris Stappen, Joris Höfinghoff, Susanne Friedl, Claudia Pammer, Peter Wolschann, Gerhard Buchbauer

Journal:

European Journal of Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 286 KB

english, 2008

16

An approach to estimate the energy of the intramolecular hydrogen bond

P Lipkowski, A Koll, A Karpfen, P Wolschann

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 138 KB

english, 2002

17

Molecular dynamics simulations of β-cyclodextrin in aqueous solution

Luckhana Lawtrakul, Helmut Viernstein, Peter Wolschann

Journal:

International Journal of Pharmaceutics

Year:

2003

Language:

english

File:

PDF, 219 KB

english, 2003

18

Solubility and molecular modeling of triflumizole-β-cyclodextrin inclusion complexes

Ch. Th. Klein, G. Köhler, B. Mayer, K. Mraz, S. Reiter, H. Viernstein, P. Wolschann

Journal:

Journal of Inclusion Phenomena and Macrocyclic Chemistry

Year:

1995

Language:

english

File:

PDF, 879 KB

english, 1995

19

Structure and spectroscopic properties of cyclodextrin inclusion complexes

G. Köhler, G. Grabner, C. TH. Klein, G. Marconi, B. Mayer, S. Monti, K. Rechthaler, K. Rotkiewicz, H. Viernstein, P. Wolschann

Journal:

Journal of Inclusion Phenomena and Macrocyclic Chemistry

Year:

1996

Language:

english

File:

PDF, 390 KB

english, 1996

20

Ab initioMolecular Electrostatic Potential Grid Maps for Quantitative Similarity Calculations of Organic Compounds

Gerhard Buchbauer, Alexander Klinsky, Petra Weiß-Greiler, Peter Wolschann

Journal:

Journal of Molecular Modeling

Year:

2000

Language:

english

File:

PDF, 164 KB

english, 2000

21

Molecular dynamics simulations and quantum chemical calculations on β-cyclodextrin spironolactone complex

Philipp Weinzinger, Petra Weiss-Greiler, Walter Snor, Helmut Viernstein, Peter Wolschann

Journal:

Journal of Inclusion Phenomena and Macrocyclic Chemistry

Year:

2007

Language:

english

File:

PDF, 192 KB

english, 2007

22

Binding of huperzine A and galanthamine to acetylcholinesterase, based on ONIOM method

Nareerat Kitisripanya, Pachareenart Saparpakorn, Peter Wolschann, Supa Hannongbua

Journal:

Nanomedicine: Nanotechnology, Biology and Medicine

Year:

2011

Language:

english

File:

PDF, 1.13 MB

english, 2011

23

Molecular insights into the binding affinity and specificity of the hemagglutinin cleavage loop from four highly pathogenic H5N1 isolates towards the proprotein convertase furin

Panita Kongsune, Thanyada Rungrotmongkol, Nadtanet Nunthaboot, Pathumwadee Yotmanee, Pornthep Sompornpisut, Yong Poovorawan, Peter Wolschann, Supot Hannongbua

Journal:

Monatshefte für Chemie - Chemical Monthly

Year:

2012

Language:

english

File:

PDF, 346 KB

english, 2012

24

Structure-Activity Relationships of Sandalwood Odorants: Synthesis of a New Campholene Derivative

Stappen, Iris, Höfinghoff, Joris, Buchbauer, Gerhard, Wolschann, Peter

Journal:

Natural Product Communications

Year:

2010

Language:

english

File:

PDF, 83 KB

english, 2010

25

Structure-Activity Relationships of Sandalwood Odorants: Synthesis of a New Campholene Derivative

Stappen, Iris, Höfinghoff, Joris, Buchbauer, Gerhard, Wolschann, Peter

Journal:

Natural Product Communications

Year:

2010

File:

PDF, 83 KB

2010

26

Systematic stepsize variation: Efficient method for searching conformational space of polypeptides

Klein, Christian T., Mayer, Bernd, K�hler, Gottfried, Wolschann, Peter

Journal:

Journal of Computational Chemistry

Year:

1998

Language:

english

File:

PDF, 235 KB

english, 1998

27

13C NMR Spectra of Electrically Neutral Organic Lewis Acids

E. Haslinger, P. Wolschann

Journal:

Bulletin des Sociétés Chimiques Belges

Year:

1977

Language:

english

File:

PDF, 268 KB

english, 1977

28

Tautomerism of Some Aminomethylphenols in Aqueous Solution

H. Martinek, P. Wolschann

Journal:

Bulletin des Sociétés Chimiques Belges

Year:

1981

Language:

english

File:

PDF, 230 KB

english, 1981

29

ChemInform Abstract: Synthesis and Conformational Analysis of a Series of 1-Benzopyrano(3,4- b)(1,4)oxazines Structurally Related to Cromakalim.

C. WOLF, P. WEISS-GREILER, P. WOLSCHANN, W. FLEISCHHACKER

Journal:

Year:

1997

File:

PDF, 29 KB

1997

30

ChemInform Abstract: Synthesis and Olfactoric Activity of Keto-β-santalol and Methoxy-β-santalol.

G. BUCHBAUER, H. SPREITZER, F. ZECHMEISTER-MACHHART, A. KLINSKY, P. WEISS-GREILER, P. WOLSCHANN

Journal:

Year:

1999

File:

PDF, 33 KB

1999

31

ChemInform Abstract: Mannich Bases as Model Compounds for Intramolecular Hydrogen Bonding. Part 2. Structure and Properties in Solution

Aleksander Koll, Peter Wolschann

Journal:

Year:

1999

File:

PDF, 24 KB

1999

32

ChemInform Abstract: 3D-Quantitative Structure—Activity Relationships of HEPT Derivatives as HIV-1 Reverse Transcriptase Inhibitors, Based on ab initio Calculations.

Supa Hannongbua, Kanda Nivesanond, Luckhana Lawtrakul, Pornpan Pungpo, Peter Wolschann

Journal:

Year:

2001

File:

PDF, 26 KB

2001

33

ChemInform Abstract: Synthesis and Olfactoric Activity of Side-Chain Modified β-Santalol Analogues.

Gerhard Buchbauer, Aneta Sunara, Petra Weiss-Greiler, Peter Wolschann

Journal:

Year:

2002

File:

PDF, 35 KB

2002

34

Bayesian Neural Networks for Aroma Classification.

Johanna Klocker, Bettina Wailzer, Gerhard Buchbauer, Peter Wolschann

Journal:

Year:

2003

File:

PDF, 52 KB

2003

35

QSAR Modeling of α-Campholenic Derivatives with Sandalwood Odor.

Assia Kovatcheva, Gerhard Buchbauer, Alexander Golbraikh, Peter Wolschann

Journal:

Year:

2003

File:

PDF, 82 KB

2003

36

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.

Suwipa Saen-oon, Supa Hannongbua, Peter Wolschann

Journal:

Year:

2003

File:

PDF, 57 KB

2003

37

Combinatorial QSAR of Ambergris Fragrance Compounds.

Assia Kovatcheva, Alexander Golbraikh, Scott Oloff, Yun-De Xiao, Weifan Zheng, Peter Wolschann, Gerhard Buchbauer, Alexander Tropsha

Journal:

Year:

2004

File:

PDF, 54 KB

2004

38

Evolutionary trace of human odorant receptors of chromosome 17

Kirsten Knape, Anton Beyer, Anna Stary, Gerhard Buchbauer, Peter Wolschann

Journal:

Flavour and Fragrance Journal

Year:

2009

Language:

english

File:

PDF, 230 KB

english, 2009

39

Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigation

Rungtiwa Chidthong, Supa Hannongbua, Adelia J. A. Aquino, Peter Wolschann, Hans Lischka

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 164 KB

english, 2007

40

Thermodynamics of the encapsulation by cyclodextrins

Suporn Charumanee, Aurawan Titwan, Jakkapan Sirithunyalug, Petra Weiss-Greiler, Peter Wolschann, Helmut Viernstein, Siriporn Okonogi

Journal:

Journal of Chemical Technology & Biotechnology

Year:

2006

Language:

english

File:

PDF, 133 KB

english, 2006

41

Proton magnetic resonance spectra and conformation of some trisubstituted cyclopropane compounds

R. Bednar, U. Herzig, I. Schuster, P. Schuster, P. Wolschann

Journal:

Magnetic Resonance in Chemistry

Year:

1976

Language:

english

File:

PDF, 666 KB

english, 1976

42

1H n.m.r. spectra and ensuing conformational evidence on carbon–carbon double bonded systems. (Electrically neutral organic Lewis acids—33)

E. Haslinger, P. Wolschann

Journal:

Magnetic Resonance in Chemistry

Year:

1977

Language:

english

File:

PDF, 599 KB

english, 1977

43

13C-NMR spectra of santalol derivatives: a comparison of DFT-based calculations and database-oriented prediction techniques

Iris Stappen, Gerhard Buchbauer, Wolfgang Robien, Peter Wolschann

Journal:

Magnetic Resonance in Chemistry

Year:

2009

Language:

english

File:

PDF, 137 KB

english, 2009

44

The use of constraints in molecular mechanics calculations of medium-sized molecules

Anton Beyer, Peter Wolschann, Armin Becker, Gerhard Buchbauer

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 281 KB

english, 1989

45

Empirical force field calculations on sandalwood odor molecules

Anton Beyer, Peter Wolschann, Armin Becker, Gerhard Buchbauer, Karin Mraz

Journal:

European Journal of Medicinal Chemistry

Year:

1987

Language:

english

File:

PDF, 237 KB

english, 1987

46

Density functional calculations on meloxicam–β-cyclodextrin inclusion complexes

Walter Snor, Elisabeth Liedl, Petra Weiss-Greiler, Helmut Viernstein, Peter Wolschann

Journal:

International Journal of Pharmaceutics

Year:

2009

Language:

english

File:

PDF, 798 KB

english, 2009

47

Theoretical study on the intramolecular hydrogen bond in chloro-substituted N,N-dimethylaminomethylphenols. I. Structural effects

A. Koll, V. Parasuk, W. Parasuk, A. Karpfen, P. Wolschann

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 222 KB

english, 2004

48

Structural and energetic consequences of the formation of intramolecular hydrogen bonds

A. Koll, A. Karpfen, P. Wolschann

Journal:

Journal of Molecular Structure

Year:

2006

Language:

english

File:

PDF, 289 KB

english, 2006

49

Intramolecular hydrogen bond in molecular and proton-transfer forms of Schiff bases

A Filarowski, A Koll, A Karpfen, P Wolschann

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 241 KB

english, 2004

50

On the structure of anhydrous β-cyclodextrin

Walter Snor, Elisabeth Liedl, Petra Weiss-Greiler, Alfred Karpfen, Helmut Viernstein, Peter Wolschann

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 469 KB

english, 2007

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