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2020 – today
- 2024
[j17]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: 108111 (2024)- 2023
- [j16]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:
Identification of Promising Sulfonamide Chalcones as Inhibitors of SARS-CoV-2 3CLpro through Structure-Based Virtual Screening and Experimental Approaches. J. Chem. Inf. Model. 63(16): 5244-5258 (2023)
2010 – 2019
- 2018
- [j15]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): 392 (2018) - 2017
- [j14]Wasinee Khuntawee, Manaschai Kunaseth, Chompoonut Rungnim, Suradej Intagorn, Peter Wolschann, Nawee Kungwan, Thanyada Rungrotmongkol, Supot Hannongbua:
Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics. J. Chem. Inf. Model. 57(4): 778-786 (2017) - 2015
- [j13]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): 1894-1902 (2015)
2000 – 2009
- 2007
- [j12]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): 1735-1742 (2007) - 2006
- [j11]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): 2085-2092 (2006) - 2004
- [j10]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): 582-595 (2004) - 2003
- [j9]Assia Kovatcheva, Gerhard Buchbauer, Alexander Golbraikh, Peter Wolschann:
QSAR Modeling of alpha-Campholenic Derivatives with Sandalwood Odor. J. Chem. Inf. Comput. Sci. 43(1): 259-266 (2003) - [j8]Suwipa Saen-oon, Supa Hannongbua, Peter Wolschann:
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. J. Chem. Inf. Comput. Sci. 43(5): 1412-1422 (2003) - 2002
- [j7]Christian Th. Klein, Norbert Kaiblinger, Peter Wolschann:
Internally defined distances in 3D-quantitative structure-activity relationships. J. Comput. Aided Mol. Des. 16(2): 79-93 (2002) - [j6]Johanna Klocker, Bettina Wailzer, Gerhard Buchbauer, Peter Wolschann:
Bayesian Neural Networks for Aroma Classification. J. Chem. Inf. Comput. Sci. 42(6): 1443-1449 (2002) - 2001
- [j5]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): 848-855 (2001)
1990 – 1999
- 1999
- [j4]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): 563-577 (1999) - 1998
- [j3]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): 397-409 (1998) - [j2]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): 1470-1481 (1998) - 1992
- [j1]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): 583-592 (1992)
Coauthor Index
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