Peter Wolschann

Publication Activity (10 Years)

Years Active: 1992-2024
Publications (10 Years): 5

Top Topics

Molecular Dynamics

Top Venues

J. Chem. Inf. Model.

Comput. Biol. Chem.

Publications

Saba Ali, Aamir Aman, Kowit Hengphasatporn, Lipika Oopkaew, Bunyaporn Todee, Ryo Fujiki, Ryuhei Harada, Yasuteru Shigeta, Kuakarun Krusong, Kiattawee Choowongkomon, Warinthorn Chavasiri, Peter Wolschann, Panupong Mahalapbutr, Thanyada Rungrotmongkol
Evaluating solubility, stability, and inclusion complexation of oxyresveratrol with various β-cyclodextrin derivatives using advanced computational techniques and experimental validation. Comput. Biol. Chem. 112 (2024)
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
through Structure-Based Virtual Screening and Experimental Approaches. J. Chem. Inf. Model. 63 (16) (2023)
Jintawee Kicuntod, Kanyani Sangpheak, Monika Müller, Peter Wolschann, Helmut Viernstein, Saeko Yanaka, Koichi Kato, Warinthorn Chavasiri, Piamsook Pongsawasdi, Nawee Kungwan, Thanyada Rungrotmongkol
Theoretical and Experimental Studies on Inclusion Complexes of Pinostrobin and β-Cyclodextrins. Sensors 18 (2) (2018)
Wasinee Khuntawee, Manaschai Kunaseth, Chompoonut Rungnim, Suradej Intagorn, Peter Wolschann, Nawee Kungwan, Thanyada Rungrotmongkol, Supot Hannongbua
-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics. J. Chem. Inf. Model. 57 (4) (2017)
Wasinee Khuntawee, Peter Wolschann, Thanyada Rungrotmongkol, Jirasak Wong-ekkabut, Supot Hannongbua
Molecular Dynamics Simulations of the Interaction of Beta Cyclodextrin with a Lipid Bilayer. J. Chem. Inf. Model. 55 (9) (2015)
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. J. Comput. Chem. 28 (10) (2007)
Ornjira Aruksakunwong, Peter Wolschann, Supot Hannongbua, Pornthep Sompornpisut
Molecular Dynamic and Free Energy Studies of Primary Resistance Mutations in HIV-1 Protease-Ritonavir Complexes. J. Chem. Inf. Model. 46 (5) (2006)
Assia Kovatcheva, Alexander Golbraikh, Scott Oloff, Yun-De Xiao, Weifan Zheng, Peter Wolschann, Gerhard Buchbauer, Alexander Tropsha
Combinatorial QSAR of Ambergris Fragrance Compounds. J. Chem. Inf. Model. 44 (2) (2004)
Assia Kovatcheva, Gerhard Buchbauer, Alexander Golbraikh, Peter Wolschann
QSAR Modeling of alpha-Campholenic Derivatives with Sandalwood Odor. J. Chem. Inf. Comput. Sci. 43 (1) (2003)
Suwipa Saen-oon, Supa Hannongbua, Peter Wolschann
and Density Functional Study. J. Chem. Inf. Comput. Sci. 43 (5) (2003)
Christian Th. Klein, Norbert Kaiblinger, Peter Wolschann
Internally defined distances in 3D-quantitative structure-activity relationships. J. Comput. Aided Mol. Des. 16 (2) (2002)
Johanna Klocker, Bettina Wailzer, Gerhard Buchbauer, Peter Wolschann
Bayesian Neural Networks for Aroma Classification. J. Chem. Inf. Comput. Sci. 42 (6) (2002)
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. J. Chem. Inf. Comput. Sci. 41 (3) (2001)
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. J. Comput. Aided Mol. Des. 13 (6) (1999)
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. J. Comput. Aided Mol. Des. 12 (4) (1998)
Christian Th. Klein, Bernd Mayer, Gottfried Köhler, Peter Wolschann
Systematic stepsize variation: Efficient method for searching conformational space of polypeptides. J. Comput. Chem. 19 (13) (1998)
Gerhard Buchbauer, Susanne Winiwarter, Peter Wolschann
Surface comparisons of some odour molecules: Conformational calculations on sandalwood odour V. J. Comput. Aided Mol. Des. 6 (6) (1992)