Peter Wolschann

发表

Internally defined distances in 3D-quantitative structure-activity relationships

Christian Th. Klein, Norbert Kaiblinger, Peter Wolschann, 2002, J. Comput. Aided Mol. Des..

Surface comparisons of some odour molecules: Conformational calculations on sandalwood odour V

Susanne Winiwarter, Peter Wolschann, Gerhard Buchbauer, 1992, J. Comput. Aided Mol. Des..

Molecular Dynamics Simulations of the Interaction of Beta Cyclodextrin with a Lipid Bilayer

Thanyada Rungrotmongkol, Supot Hannongbua, Peter Wolschann, 2015, J. Chem. Inf. Model..

Comparative molecular field analysis of artemisinin derivatives: Ab initio versus semiempirical optimized structures

Rudolf H. Winger, Klaus R. Liedl, Peter Wolschann, 1998, J. Comput. Aided Mol. Des..

Bayesian Neural Networks for Aroma Classification

Peter Wolschann, Gerhard Buchbauer, Johanna Klocker, 2002, J. Chem. Inf. Comput. Sci..

Quantitative structure-activity relationships and comparative molecular field analysis of TIBO derivatised HIV-1 reverse transcriptase inhibitors

Supa Hannongbua, Pornpan Pungpo, Peter Wolschann, 1999, J. Comput. Aided Mol. Des..

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

Supa Hannongbua, Peter Wolschann, Hans Lischka, 2007, J. Comput. Chem..

Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics

Thanyada Rungrotmongkol, Supot Hannongbua, Peter Wolschann, 2017, J. Chem. Inf. Model..

Combinatorial QSAR of Ambergris Fragrance Compounds

Alexander Golbraikh, Alexander Tropsha, Weifan Zheng, 2004, J. Chem. Inf. Model..

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

Bernd Mayer, Christian Th. Klein, Peter Wolschann, 1998, J. Comput. Chem..

QSAR Modeling of alpha-Campholenic Derivatives with Sandalwood Odor

Alexander Golbraikh, Peter Wolschann, Gerhard Buchbauer, 2003, J. Chem. Inf. Comput. Sci..

3D-Quantitative Structure-Activity Relationships of HEPT Derivatives as HIV-1 Reverse Transcriptase Inhibitors, Based on Ab Initio Calculations

Supa Hannongbua, Pornpan Pungpo, Peter Wolschann, 2001, J. Chem. Inf. Comput. Sci..

Predicting Complexation Thermodynamic Parameters of β-Cyclodextrin with Chiral Guests by Using Swarm Intelligence and Support Vector Machines

Peter Wolschann, Chakguy Prakasvudhisarn, Luckhana Lawtrakul, 2009, International journal of molecular sciences.

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

Supa Hannongbua, Peter Wolschann, Suwipa Saen-oon, 2003, J. Chem. Inf. Comput. Sci..

Molecular Dynamic and Free Energy Studies of Primary Resistance Mutations in HIV-1 Protease-Ritonavir Complexes

Supot Hannongbua, Pornthep Sompornpisut, Peter Wolschann, 2006, J. Chem. Inf. Model..

QSAR Modeling of α-Campholenic Derivatives with Sandalwood Odor.

Alexander Golbraikh, Peter Wolschann, Gerhard Buchbauer, 2003 .

A Method for Predicting the Free Energies of Complexation between β-Cyclodextrin and Guest Molecules

Christian Th. Klein, Peter Wolschann, Helmut Viernstein, 2000 .

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

Supa Hannongbua, Peter Wolschann, P. Wolschann, 2011, Nanomedicine : nanotechnology, biology, and medicine.

Modeling Molecular dynamics and mutational analysis of a channelopathy mutation in the IIS 6 helix of CaV 1 . 2

Peter Wolschann, Steffen Hering, P. Wolschann, 2022 .

Influence of solvation on helix formation of poly-alanine studied by multiple annealing simulations

Christian Th. Klein, Peter Wolschann, Gottfried Köhler, 1996 .

In silico Analysis of Conformational Changes Induced by Mutation of Aromatic Binding Residues: Consequences for Drug Binding in the hERG K+ Channel

Peter Wolschann, Tobias Linder, Anna Stary-Weinzinger, 2011, PloS one.

Excited-State Proton Transfer of 2-Naphthol Inclusion Complexes with Cyclodextrins

Peter Wolschann, P. Wolschann, G. Koehler, 1994 .

Structural Analysis of Host–Guest Systems. Methyl-substituted Phenols in beta;-Cyclodextrin

Christian Th. Klein, Peter Wolschann, Gottfried Köhler, 1997 .

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

Peter Wolschann, Gerhard Buchbauer, Alexander Hillisch, 1994 .

Accessible Charges in Structure-Activity Relationships. A Study on HEPT-based HIV-1 RT Inhibitors

Supa Hannongbua, Christian Th. Klein, Peter Wolschann, 2000 .

ON THE ODOR OF THE ENANTIOMERS OF MADROL

Peter Wolschann, Gerhard Buchbauer, Philippine Lebada, 1997 .

A rapid method for molecular shape comparison of medium-sized molecules. Conformational calculations on sandalwood odor, IV

Susanne Winiwarter, Peter Wolschann, Gerhard Buchbauer, 1992 .

Free Energy Prediction of the Complexation between β -Cyclodextrin and Guest Molecules: External Predictivity of MR and PLS Models

Peter Wolschann, Ch. Th. Klein, H. Viemstein, 2000 .

Validation of fluid bed granulation utilizing artificial neural network.

Peter Wolschann, Johanna Klocker, Helmut Viernstein, 2005, International journal of pharmaceutics.

Synthesis and olfactoric activity of side-chain modified β-santalol analogues

Peter Wolschann, Gerhard Buchbauer, P. Wolschann, 2001 .

Elucidating Drug-Enzyme Interactions and Their Structural Basis for Improving the Affinity and Potency of Isoniazid and Its Derivatives Based on Computer Modeling Approaches

Auradee Punkvang, Patchreenart Saparpakorn, Supa Hannongbua, 2010, Molecules.

Comparison between two types of Artificial Neural Networks used for validation of pharmaceutical processes

Peter Wolschann, Chakguy Prakasvudhisarn, Johanna Klocker, 2009 .

Molecular Calculations on the Conformation of the HIV-1 Reverse Transcriptase Inhibitor 1-((2-Hydroxyethoxy)methyl)-6-(phenylthio)thymine (HEPT)

Supa Hannongbua, Peter Wolschann, Luckhana Lawtrakul, 1999 .

Predicting the Free Energies of Complexation Between Cyclodextrins and Guest Molecules: Linear versus Nonlinear Models

Christian Th. Klein, Peter Wolschann, Helmut Viernstein, 2004, Pharmaceutical Research.

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

Peter Wolschann, Gerhard Buchbauer, Armin Becker, 1989 .

Molecular Dynamics and Mutational Analysis of a Channelopathy mutation in the IIS6 Helix of CaV1.2

Peter Wolschann, Steffen Hering, H. Guy, 2008, Channels.

Synthesis and olfactoric activity of keto-β-santalol and methoxy-β-santalol

Peter Wolschann, Gerhard Buchbauer, P. Wolschann, 1998 .

Investigating the structural basis of arylamides to improve potency against M. tuberculosis strain through molecular dynamics simulations.

Auradee Punkvang, Patchreenart Saparpakorn, Supa Hannongbua, 2010, European journal of medicinal chemistry.