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Issue DateTitleAuthor(s)
1-Apr-2016How strong is the edge effect in the adsorption of anticancer drugs on a graphene cluster?Chompoonut Rungnim; Rungroj Chanajaree; Thanyada Rungrotmongkol; Supot Hannongbua; Nawee Kungwan; Peter Wolschann; Alfred Karpfen; Vudhichai Parasuk
24-Apr-2017Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular DynamicsWasinee Khuntawee; Manaschai Kunaseth; Chompoonut Rungnim; Suradej Intagorn; Peter Wolschann; Nawee Kungwan; Thanyada Rungrotmongkol; Supot Hannongbua
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
16-Jan-2019Cavity closure of 2-hydroxypropyl-β-cyclodextrin: Replica exchange molecular dynamics simulationsKhanittha Kerdpol; Jintawee Kicuntod; Peter Wolschann; Seiji Mori; Chompoonut Rungnim; Manaschai Kunaseth; Hisashi Okumura; Nawee Kungwan; Thanyada Rungrotmongkol
15-Aug-2019Encapsulation of alpha-mangostin and hydrophilic beta-cyclodextrins revealed by all-atom molecular dynamics simulationsWiparat Hotarat; Sarunya Phunpee; Chompoonut Rungnim; Peter Wolschann; Nawee Kungwan; Uracha Ruktanonchai; Thanyada Rungrotmongkol; Supot Hannongbua
1-Jan-2020In silico screening of chalcones against epstein-barr virus nuclear antigen 1 proteinNitchakan Darai; Panupong Mahalapbutr; Kanyani Sangpheak; Chompoonut Rungnim; Peter Wolschann; Nawee Kungwan; Thanyada Rungrotmongkol

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