Peter Wolschann

18 papers Journal 18

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Pre-training strategy for antiviral drug screening with low-data graph neural network: A case study in HIV-1 K103N reverse transcriptase. J. Comput. Chem. Kajjana Boonpalit, Hathaichanok Chuntakaruk, Jiramet Kinchagawat, Peter Wolschann, Supot Hannongbua, Thanyada Rungrotmongkol, Sarana Nutanong
2024	J	`jnl`	Evaluating solubility, stability, and inclusion complexation of oxyresveratrol with various β-cyclodextrin derivatives using advanced computational techniques and experimental validation. Comput. Biol. Chem. 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
2023	J	`jnl`	Identification of Promising Sulfonamide Chalcones as Inhibitors of SARS-CoV-2 3CL J. Chem. Inf. Model. 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
2018	J	`jnl`	Theoretical and Experimental Studies on Inclusion Complexes of Pinostrobin and β-Cyclodextrins. Sensors Jintawee Kicuntod, Kanyani Sangpheak, Monika Müller, Peter Wolschann, Helmut Viernstein, Saeko Yanaka, Koichi Kato, Warinthorn Chavasiri, Piamsook Pongsawasdi, Nawee Kungwan, Thanyada Rungrotmongkol
2017	J	`jnl`	Comparison of Implicit and Explicit Solvation Models for J. Chem. Inf. Model. Wasinee Khuntawee, Manaschai Kunaseth, Chompoonut Rungnim, Suradej Intagorn, Peter Wolschann, Nawee Kungwan, Thanyada Rungrotmongkol, Supot Hannongbua
2015	J	`jnl`	Molecular Dynamics Simulations of the Interaction of Beta Cyclodextrin with a Lipid Bilayer. J. Chem. Inf. Model. Wasinee Khuntawee, Peter Wolschann, Thanyada Rungrotmongkol, Jirasak Wong-ekkabut, Supot Hannongbua
2007	J	`jnl`	Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigation. J. Comput. Chem. Rungtiwa Chidthong, Supa Hannongbua, Adélia J. A. Aquino, Peter Wolschann, Hans Lischka
2006	J	`jnl`	Molecular Dynamic and Free Energy Studies of Primary Resistance Mutations in HIV-1 Protease-Ritonavir Complexes. J. Chem. Inf. Model. Ornjira Aruksakunwong, Peter Wolschann, Supot Hannongbua, Pornthep Sompornpisut
2004	J	`jnl`	Combinatorial QSAR of Ambergris Fragrance Compounds. J. Chem. Inf. Model. Assia Kovatcheva, Alexander Golbraikh, Scott Oloff, Yun-De Xiao, Weifan Zheng, Peter Wolschann, Gerhard Buchbauer, Alexander Tropsha
2003	J	`jnl`	QSAR Modeling of alpha-Campholenic Derivatives with Sandalwood Odor. J. Chem. Inf. Comput. Sci. Assia Kovatcheva, Gerhard Buchbauer, Alexander Golbraikh, Peter Wolschann
2003	J	`jnl`	Structural Flexibility of Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitor: 9-Cl J. Chem. Inf. Comput. Sci. Suwipa Saen-oon, Supa Hannongbua, Peter Wolschann
2002	J	`jnl`	Bayesian Neural Networks for Aroma Classification. J. Chem. Inf. Comput. Sci. Johanna Klocker, Bettina Wailzer, Gerhard Buchbauer, Peter Wolschann
2002	J	`jnl`	Internally defined distances in 3D-quantitative structure-activity relationships. J. Comput. Aided Mol. Des. Christian Th. Klein, Norbert Kaiblinger, Peter Wolschann
2001	J	`jnl`	3D-Quantitative Structure-Activity Relationships of HEPT Derivatives as HIV-1 Reverse Transcriptase Inhibitors, Based on Ab Initio Calculations. J. Chem. Inf. Comput. Sci. Supa Hannongbua, Kanda Nivesanond, Luckhana Lawtrakul, Pornpan Pungpo, Peter Wolschann
1999	J	`jnl`	Quantitative structure-activity relationships and comparative molecular field analysis of TIBO derivatised HIV-1 reverse transcriptase inhibitors. J. Comput. Aided Mol. Des. Supa Hannongbua, Pornpan Pungpo, Jumras Limtrakul, Peter Wolschann
1998	J	`jnl`	Comparative molecular field analysis of artemisinin derivatives: Ab initio versus semiempirical optimized structures. J. Comput. Aided Mol. Des. Somsak Tonmunphean, Sirirat Kokpol, Vudhichai Parasuk, Peter Wolschann, Rudolf H. Winger, Klaus R. Liedl, Bernd M. Rode
1998	J	`jnl`	Systematic stepsize variation: Efficient method for searching conformational space of polypeptides. J. Comput. Chem. Christian Th. Klein, Bernd Mayer, Gottfried Köhler, Peter Wolschann
1992	J	`jnl`	Surface comparisons of some odour molecules: Conformational calculations on sandalwood odour V. J. Comput. Aided Mol. Des. Gerhard Buchbauer, Susanne Winiwarter, Peter Wolschann