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Results 21-30 of 38 (Search time: 0.003 seconds).
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Issue DateTitleAuthor(s)
1-Jan-2017Structural dynamics and binding free energy of neral-cyclodextrins inclusion complexes: Molecular dynamics simulationPeerapong Wongpituk; Bodee Nutho; Wanwisa Panman; Nawee Kungwan; Peter Wolschann; Thanyada Rungrotmongkol; Nadtanet Nunthaboot
1-Dec-2017Molecular recognition of naphthoquinone-containing compounds against human DNA topoisomerase IIα ATPase domain: A molecular modeling studyPanupong Mahalapbutr; Phakawat Chusuth; Nawee Kungwan; Warinthorn Chavasiri; Peter Wolschann; Thanyada Rungrotmongkol
1-Jan-2018The inclusion complexation of daidzein with β-cyclodextrin and 2,6-dimethyl-β-cyclodextrin: a theoretical and experimental studyThanyada Rungrotmongkol; Tipsuda Chakcharoensap; Piamsook Pongsawasdi; Nawee Kungwan; Peter Wolschann
1-Jan-2019Computational screening of chalcones acting against topoisomerase IIα and their cytotoxicity towards cancer cell linesKanyani Sangpheak; Monika Mueller; Nitchakan Darai; Peter Wolschann; Chonticha Suwattanasophon; Ritbey Ruga; Warinthon Chavasiri; Supaporn Seetaha; Kiattawee Choowongkomon; Nawee Kungwan; Chompoonut Rungnim; Thanyada Rungrotmongkol
15-Jan-2019Binding pattern and susceptibility of epigallocatechin gallate against envelope protein homodimer of Zika virus: A molecular dynamics studyKowit Hengphasatporn; Nawee Kungwan; Thanyada Rungrotmongkol
1-Jan-2018Glycan binding and specificity of viral influenza neuraminidases by classical molecular dynamics and replica exchange molecular dynamics simulationsJiraphorn Phanich; Siraphob Threeracheep; Nawee Kungwan; Thanyada Rungrotmongkol; Supot Hannongbua
1-Dec-2018A spectroscopic study of indigo dye in aqueous solution: A combined experimental and TD-DFT studyNaparat Jiwalak; Rathawat Daengngern; Thanyada Rungrotmongkol; Siriporn Jungsuttiwong; Supawadee Namuangruk; Nawee Kungwan; Supaporn Dokmaisrijan
1-May-2019Conjugated biopolymer-assisted the binding of polypropylene toward single-walled carbon nanotube: A molecular dynamics simulationWanwisa Panman; Panupong Mahalapbutr; Oraphan Saengsawang; Chompoonut Rungnim; Nawee Kungwan; Thanyada Rungrotmongkol; Supot Hannongbua
1-Jun-2019Low susceptibility of asunaprevir towards R155K and D168A point mutations in HCV NS3/4A protease: A molecular dynamics simulationJirayu Kammarabutr; Panupong Mahalapbutr; Bodee Nutho; Nawee Kungwan; Thanyada Rungrotmongkol
15-Mar-2019A theoretical study on the molecular encapsulation of luteolin and pinocembrin with various derivatized beta-cyclodextrinsPanupong Mahalapbutr; Kanokwan Thitinanthavet; Thadsanee Kedkham; Huy Nguyen; Le thi ha Theu; Supaporn Dokmaisrijan; Lam Huynh; Nawee Kungwan; Thanyada Rungrotmongkol

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