Peter Wolschann - researchr alias

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Viewing Publication 1 - 16 from 16

2023

pro through Structure-Based Virtual Screening and Experimental ApproachesPiyatida 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. jcisd, 63(16):5244-5258, August 2023. [doi]

2018

Theoretical and Experimental Studies on Inclusion Complexes of Pinostrobin and β-CyclodextrinsJintawee Kicuntod, Kanyani Sangpheak, Monika Müller, Peter Wolschann, Helmut Viernstein, Saeko Yanaka, Koichi Kato, Warinthorn Chavasiri, Piamsook Pongsawasdi, Nawee Kungwan, Thanyada Rungrotmongkol. sensors, 18(2):392, 2018. [doi]

2017

Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular DynamicsWasinee Khuntawee, Manaschai Kunaseth, Chompoonut Rungnim, Suradej Intagorn, Peter Wolschann, Nawee Kungwan, Thanyada Rungrotmongkol, Supot Hannongbua. jcisd, 57(4):778-786, 2017. [doi]

2015

Molecular Dynamics Simulations of the Interaction of Beta Cyclodextrin with a Lipid BilayerWasinee Khuntawee, Peter Wolschann, Thanyada Rungrotmongkol, Jirasak Wong-ekkabut, Supot Hannongbua. jcisd, 55(9):1894-1902, 2015. [doi]

2007

Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigationRungtiwa Chidthong, Supa Hannongbua, Adélia J. A. Aquino, Peter Wolschann, Hans Lischka. jcc, 28(10):1735-1742, 2007. [doi]

2006

Molecular Dynamic and Free Energy Studies of Primary Resistance Mutations in HIV-1 Protease-Ritonavir ComplexesOrnjira Aruksakunwong, Peter Wolschann, Supot Hannongbua, Pornthep Sompornpisut. jcisd, 46(5):2085-2092, 2006. [doi]

2004

Combinatorial QSAR of Ambergris Fragrance CompoundsAssia Kovatcheva, Alexander Golbraikh, Scott Oloff, Yun-De Xiao, Weifan Zheng, Peter Wolschann, Gerhard Buchbauer, Alexander Tropsha. jcisd, 44(2):582-595, 2004. [doi]

2003

QSAR Modeling of alpha-Campholenic Derivatives with Sandalwood OdorAssia Kovatcheva, Gerhard Buchbauer, Alexander Golbraikh, Peter Wolschann. jcisd, 43(1):259-266, 2003. [doi]

Structural Flexibility of Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitor: 9-Cl ::::TIBO:::: as Explained by Potential Energy Surface and :::13:::C and :::1:::H NMR Calculations, Based on ::::ab initio:::: and Density Functional StudySuwipa Saen-oon, Supa Hannongbua, Peter Wolschann. jcisd, 43(5):1412-1422, 2003. [doi]

2002

Internally defined distances in 3D-quantitative structure-activity relationshipsChristian Th. Klein, Norbert Kaiblinger, Peter Wolschann. jcamd, 16(2):79-93, 2002. [doi]

Bayesian Neural Networks for Aroma ClassificationJohanna Klocker, Bettina Wailzer, Gerhard Buchbauer, Peter Wolschann. jcisd, 42(6):1443-1449, 2002. [doi]

2001

3D-Quantitative Structure-Activity Relationships of HEPT Derivatives as HIV-1 Reverse Transcriptase Inhibitors, Based on Ab Initio CalculationsSupa Hannongbua, Kanda Nivesanond, Luckhana Lawtrakul, Pornpan Pungpo, Peter Wolschann. jcisd, 41(3):848-855, 2001. [doi]

1999

Quantitative structure-activity relationships and comparative molecular field analysis of TIBO derivatised HIV-1 reverse transcriptase inhibitorsSupa Hannongbua, Pornpan Pungpo, Jumras Limtrakul, Peter Wolschann. jcamd, 13(6):563-577, 1999. [doi]

1998

Systematic stepsize variation: Efficient method for searching conformational space of polypeptidesChristian Th. Klein, Bernd Mayer, Gottfried Köhler, Peter Wolschann. jcc, 19(13):1470-1481, 1998. [doi]

Comparative molecular field analysis of artemisinin derivatives: Ab initio versus semiempirical optimized structuresSomsak Tonmunphean, Sirirat Kokpol, Vudhichai Parasuk, Peter Wolschann, Rudolf H. Winger, Klaus R. Liedl, Bernd M. Rode. jcamd, 12(4):397-409, 1998. [doi]

1992

Surface comparisons of some odour molecules: Conformational calculations on sandalwood odour VGerhard Buchbauer, Susanne Winiwarter, Peter Wolschann. jcamd, 6(6):583-592, 1992.

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