Predicting Complexation Thermodynamic Parameters of β-Cyclodextrin with Chiral Guests by Using Swarm Intelligence and Support Vector Machines

by Luckhana Lawtrakul, Peter Wolschann, Chakguy Prakasvudhisarn
Published 2009-05-01

Holographic Quantitative Structure-Activity Relationships of Tryptamine Derivatives at NMDA, 5HT1A and 5HT2A Receptors

by Peter Wolschann, Rungtiva Palangsuntikul, Heinz Berner, Michael L. Berger
Published 2013-07-01

QSAR–CoMSIA applied to antipsychotic drugs with their dopamine D2 and serotonine 5HT2A membrane receptors

by SPERANTA AVRAM, DANIEL DUDA-SEIMAN, FLORIN BORCAN, PETER WOLSCHANN
Published 2011-02-01

Delivery of Alpha-Mangostin Using Cyclodextrins through a Biological Membrane: Molecular Dynamics Simulation

by Wiparat Hotarat, Bodee Nutho, Peter Wolschann, Thanyada Rungrotmongkol, Supot Hannongbua
Published 2020-05-01

Effect of Cyclodextrin Types and Co-Solvent on Solubility of a Poorly Water Soluble Drug

by Suporn Charumanee, Siriporn Okonogi, Jakkapan Sirithunyalug, Peter Wolschann, Helmut Viernstein
Published 2016-10-01

Elucidating Drug-Enzyme Interactions and Their Structural Basis for Improving the Affinity and Potency of Isoniazid and Its Derivatives Based on Computer Modeling Approaches

by Auradee Punkvang, Patchreenart Saparpakorn, Supa Hannongbua, Peter Wolschann, Pornpan Pungpo
Published 2010-04-01

In silico analysis of conformational changes induced by mutation of aromatic binding residues: consequences for drug binding in the hERG K+ channel.

by Kirsten Knape, Tobias Linder, Peter Wolschann, Anton Beyer, Anna Stary-Weinzinger
Published 2011-01-01

In silico screening of chalcones against Epstein-Barr virus nuclear antigen 1 protein

by Nitchakan Darai, Panupong Mahalapbutr, Kanyani Sangpheak, Chompoonut Rungnim, Peter Wolschann, Nawee Kungwan, Thanyada Rungrotmongkol
Published 2020-08-01

Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes

by Bodee Nutho, Wasinee Khuntawee, Chompoonut Rungnim, Piamsook Pongsawasdi, Peter Wolschann, Alfred Karpfen, Nawee Kungwan, Thanyada Rungrotmongkol
Published 2014-11-01

Effect of Water Microsolvation on the Excited-State Proton Transfer of 3-Hydroxyflavone Enclosed in γ-Cyclodextrin

by Khanittha Kerdpol, Rathawat Daengngern, Chanchai Sattayanon, Supawadee Namuangruk, Thanyada Rungrotmongkol, Peter Wolschann, Nawee Kungwan, Supot Hannongbua
Published 2021-02-01

Biological Evaluation and Molecular Dynamics Simulation of Chalcone Derivatives as Epidermal Growth Factor-Tyrosine Kinase Inhibitors

by Kanyani Sangpheak, Lueacha Tabtimmai, Supaphorn Seetaha, Chompoonut Rungnim, Warinthorn Chavasiri, Peter Wolschann, Kiattawee Choowongkomon, Thanyada Rungrotmongkol
Published 2019-03-01

Physical properties and biological activities of hesperetin and naringenin in complex with methylated β-cyclodextrin

by Waratchada Sangpheak, Jintawee Kicuntod, Roswitha Schuster, Thanyada Rungrotmongkol, Peter Wolschann, Nawee Kungwan, Helmut Viernstein, Monika Mueller, Piamsook Pongsawasdi
Published 2015-12-01

Cavity Closure of 2-Hydroxypropyl-β-Cyclodextrin: Replica Exchange Molecular Dynamics Simulations

by Khanittha Kerdpol, Jintawee Kicuntod, Peter Wolschann, Seiji Mori, Chompoonut Rungnim, Manaschai Kunaseth, Hisashi Okumura, Nawee Kungwan, Thanyada Rungrotmongkol
Published 2019-01-01

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

by Jintawee Kicuntod, Kanyani Sangpheak, Monika Mueller, Peter Wolschann, Helmut Viernstein, Saeko Yanaka, Koichi Kato, Warinthorn Chavasiri, Piamsook Pongsawasdi, Nawee Kungwan, Thanyada Rungrotmongkol
Published 2018-01-01

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

by Jintawee Kicuntod, Kanyani Sangpheak, Monika Mueller, Peter Wolschann, Helmut Viernstein, Saeko Yanaka, Koichi Kato, Warinthorn Chavasiri, Piamsook Pongsawasdi, Nawee Kungwan, Thanyada Rungrotmongkol
Published 2018-01-01

Computational screening of chalcones acting against topoisomerase IIα and their cytotoxicity towards cancer cell lines

by Kanyani Sangpheak, Monika Mueller, Nitchakan Darai, Peter Wolschann, Chonticha Suwattanasophon, Ritbey Ruga, Warinthon Chavasiri, Supaporn Seetaha, Kiattawee Choowongkomon, Nawee Kungwan, Chompoonut Rungnim, Thanyada Rungrotmongkol
Published 2019-01-01