Browsing by Author Nawee Kungwan

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Issue DateTitleAuthor(s)
1-Jan-2016A 3D-RISM/RISM study of the oseltamivir binding efficiency with the wild-type and resistance-associated mutant forms of the viral influenza B neuraminidaseJiraphorn Phanich; Thanyada Rungrotmongkol; Daniel Sindhikara; Saree Phongphanphanee; Norio Yoshida; Fumio Hirata; Nawee Kungwan; Supot Hannongbua
1-Jan-2017Anchoring number-performance relationship of zinc-porphyrin sensitizers for dye-sensitized solar cells: A combined experimental and theoretical studyTinnagon Keawin; Ruangchai Tarsang; Kanokkorn Sirithip; Narid Prachumrak; Taweesak Sudyoadsuk; Supawadee Namuangruk; Jean Roncali; Nawee Kungwan; Vinich Promarak; Siriporn Jungsuttiwong
1-May-2013Application of the reaction class transition state theory to the kinetics of hydrogen abstraction reactions of alkanes by atomic chlorineTammarat Piansawan; Nawee Kungwan; Siriporn Jungsuttiwong
1-Mar-2017Asymmetric hydrogen bonding in formic acid–nitric acid dimer observed by quantum molecular dynamics simulationsChanisorn Ngaojampa; Tsutomu Kawatsu; Yuki Oba; Nawee Kungwan; Masanori Tachikawa
1-Dec-2019Atomistic mechanisms underlying the activation of the G protein-coupled sweet receptor heterodimer by sugar alcohol recognitionPanupong Mahalapbutr; Nitchakan Darai; Wanwisa Panman; Aunchan Opasmahakul; Nawee Kungwan; Supot Hannongbua; 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
17-Jun-2015Binding specificity of polypeptide substrates in NS2B/NS3pro serine protease of dengue virus type 2: A molecular dynamics StudyPathumwadee Yotmanee; Thanyada Rungrotmongkol; Kanin Wichapong; Sy Bing Choi; Habibah A. Wahab; Nawee Kungwan; Supot Hannongbua
28-Feb-2016Capability of defective graphene-supported Pd<inf>13</inf>and Ag<inf>13</inf>particles for mercury adsorptionJittima Meeprasert; Anchalee Junkaew; Chompoonut Rungnim; Manaschai Kunaseth; Nawee Kungwan; Vinich Promarak; Supawadee Namuangruk
5-May-2018Carbon-doped boron nitride nanosheet as a promising metal-free catalyst for NO reduction: DFT mechanistic studyTanabat Mudchimo; Supawadee Namuangruk; Nawee Kungwan; Siriporn Jungsuttiwong
1-Jan-2018Catalytic reduction mechanism of deoxygenation of NO via the CO-reaction pathway using nanoalloy Ag<inf>7</inf>Au<inf>6</inf>clusters: Density functional theory investigationYutthana Wongnongwa; Supawadee Namuangruk; Nawee Kungwan; Siriporn Jungsuttiwong
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
1-Jan-2017Combined experimental and theoretical investigation on Fluorescence Resonance Energy Transfer of dye loaded on LTL zeoliteWilaiporn Insuwan; Kunwadee Rangsriwatananon; Jittima Meeprasert; Supawadee Namuangruk; Yaowarat Surakhot; Nawee Kungwan; Siriporn Jungsuttiwong
1-Jan-2014Combined experimental and theoretical investigation on photophysical properties of trans-azobenzene confined in LTL zeolite: Effect of cis-isomer formingWilaiporn Insuwan; Kunwadee Rangsriwatananon; Jittima Meeprasert; Supawadee Namuangruk; Yaowarat Surakhot; Nawee Kungwan; Siriporn Jungsuttiwong
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-2017The complete reaction mechanism of H<inf>2</inf>S desulfurization on an anatase TiO<inf>2</inf>(001) surface: A density functional theory investigationAnchalee Junkaew; Phornphimon Maitarad; Raymundo Arróyave; Nawee Kungwan; Dengsong Zhang; Liyi Shi; Supawadee Namuangruk
5-Jun-2016Complete reaction mechanisms of mercury oxidation on halogenated activated carbonChompoonut Rungnim; Vinich Promarak; Supa Hannongbua; Nawee Kungwan; Supawadee Namuangruk
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
7-Dec-2017Computational screening of fatty acid synthase inhibitors against thioesterase domainWanwisa Panman; Bodee Nutho; Supakarn Chamni; Supaporn Dokmaisrijan; Nawee Kungwan; Thanyada Rungrotmongkol
5-May-2016Conformation study of ε-cyclodextrin: Replica exchange molecular dynamics simulationsWasinee Khuntawee; Thanyada Rungrotmongkol; Peter Wolschann; Piamsook Pongsawasdi; Nawee Kungwan; Hisashi Okumura; Supot Hannongbua
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