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

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Holographic Quantitative Structure-Activity Relationships of Tryptamine Derivatives at NMDA, 5HT1A and 5HT2A Receptors by Peter Wolschann, Rungtiva Palangsuntikul, Heinz Berner, Michael L. Berger

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Delivery of Alpha-Mangostin Using Cyclodextrins through a Biological Membrane: Molecular Dynamics Simulation by Wiparat Hotarat, Bodee Nutho, Peter Wolschann, Thanyada Rungrotmongkol, Supot Hannongbua

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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

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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

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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

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Theoretical studies on RNA recognition by Musashi 1 RNA-binding protein by Nitchakan Darai, Panupong Mahalapbutr, Peter Wolschann, Vannajan Sanghiran Lee, Michael T. Wolfinger, Thanyada Rungrotmongkol

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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

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Computational design of novel nanobodies targeting the receptor binding domain of variants of concern of SARS-CoV-2. by Phoomintara Longsompurana, Thanyada Rungrotmongkol, Nongluk Plongthongkum, Kittikhun Wangkanont, Peter Wolschann, Rungtiva P Poo-Arporn

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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

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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

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2D-QSAR and CoMFA Models for Antitubercular Activity of Scalarane-Type Sesterterpenes by Suriyan Thengyai, Yuewei Guo, Khanit Suwanborirux, Heinz Berner, Helmut Spreitzer, Peter Wolschann, Supa Hannongbua, Anuchit Plubrukarn

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In Vitro and In Silico Study on the Molecular Encapsulation of α-Tocopherol in a Large-Ring Cyclodextrin by Mattanun Sangkhawasi, Khanittha Kerdpol, Abbas Ismail, Bodee Nutho, Chonnikan Hanpiboon, Peter Wolschann, Kuakarun Krusong, Thanyada Rungrotmongkol, Supot Hannongbua

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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

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Identification of repurposing therapeutics toward SARS-CoV-2 main protease by virtual screening. by Kamonpan Sanachai, Tuanjai Somboon, Patcharin Wilasluck, Peerapon Deetanya, Peter Wolschann, Thierry Langer, Vannajan Sanghiran Lee, Kittikhun Wangkanont, Thanyada Rungrotmongkol, Supot Hannongbua

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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

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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

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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

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