Peter Wolschann

According to our database, Peter Wolschann authored at least 16 papers between 1992 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

Identification of Promising Sulfonamide Chalcones as Inhibitors of SARS-CoV-2 3CL^pro through Structure-Based Virtual Screening and Experimental Approaches.

Piyatida Pojtanadithee, Kowit Hengphasatporn, Aphinya Suroengrit, Siwaporn Boonyasuppayakorn, Patcharin Wilasluck, Peerapon Deetanya, Kittikhun Wangkanont, I. Putu Sukanadi, Warinthorn Chavasiri, Peter Wolschann, Thierry Langer, Yasuteru Shigeta, Phornphimon Maitarad, Kamonpan Sanachai, Thanyada Rungrotmongkol

J. Chem. Inf. Model., August, 2023

2018

Theoretical and Experimental Studies on Inclusion Complexes of Pinostrobin and β-Cyclodextrins.

Jintawee Kicuntod, Kanyani Sangpheak, Monika Müller, Peter Wolschann, Helmut Viernstein, Saeko Yanaka, Koichi Kato, Warinthorn Chavasiri, Piamsook Pongsawasdi, Nawee Kungwan, Thanyada Rungrotmongkol

Sensors, 2018

2017

Comparison of Implicit and Explicit Solvation Models for <i>Iota</i>-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics.

Wasinee Khuntawee, Manaschai Kunaseth, Chompoonut Rungnim, Suradej Intagorn, Peter Wolschann, Nawee Kungwan, Thanyada Rungrotmongkol, Supot Hannongbua

J. Chem. Inf. Model., 2017

2015

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

Wasinee Khuntawee, Peter Wolschann, Thanyada Rungrotmongkol, Jirasak Wong-ekkabut, Supot Hannongbua

J. Chem. Inf. Model., 2015

2007

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

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

J. Comput. Chem., 2007

2006

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

Ornjira Aruksakunwong, Peter Wolschann, Supot Hannongbua, Pornthep Sompornpisut

J. Chem. Inf. Model., 2006

2004

Combinatorial QSAR of Ambergris Fragrance Compounds.

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

J. Chem. Inf. Model., 2004

2003

Structural Flexibility of Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitor: 9-Cl <i>TIBO</i> as Explained by Potential Energy Surface and ¹³C and ¹H NMR Calculations, Based on <i>ab initio</i> and Density Functional Study.

Suwipa Saen-oon, Supa Hannongbua, Peter Wolschann

J. Chem. Inf. Comput. Sci., 2003

QSAR Modeling of alpha-Campholenic Derivatives with Sandalwood Odor.

Assia Kovatcheva, Gerhard Buchbauer, Alexander Golbraikh, Peter Wolschann

J. Chem. Inf. Comput. Sci., 2003

2002

Bayesian Neural Networks for Aroma Classification.

Johanna Klocker, Bettina Wailzer, Gerhard Buchbauer, Peter Wolschann

J. Chem. Inf. Comput. Sci., 2002

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

Christian Th. Klein, Norbert Kaiblinger, Peter Wolschann

J. Comput. Aided Mol. Des., 2002

2001

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

J. Chem. Inf. Comput. Sci., 2001

1999

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

Supa Hannongbua, Pornpan Pungpo, Jumras Limtrakul, Peter Wolschann

J. Comput. Aided Mol. Des., 1999

1998

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

Christian Th. Klein, Bernd Mayer, Gottfried Köhler, Peter Wolschann

J. Comput. Chem., 1998

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

Somsak Tonmunphean, Sirirat Kokpol, Vudhichai Parasuk, Peter Wolschann, Rudolf H. Winger, Klaus R. Liedl, Bernd M. Rode

J. Comput. Aided Mol. Des., 1998

1992

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

Gerhard Buchbauer, Susanne Winiwarter, Peter Wolschann

J. Comput. Aided Mol. Des., 1992