1. CMU Intellectual Repository

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Results 1-10 of 14 (Search time: 0.002 seconds).
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Issue DateTitleAuthor(s)
1-Nov-2011Identification of amino acid residues of a designed ankyrin repeat protein potentially involved in intermolecular interactions with CD4: Analysis by molecular dynamics simulationsPiyarat Nimmanpipug; Chalermpon Khampa; Vannajan Sanghiran Lee; Sawitree Nangola; Chatchai Tayapiwatana
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
1-Jan-2016Inclusion complexation of pinostrobin with various cyclodextrin derivativesJintawee Kicuntod; Wasinee Khuntawee; Peter Wolschann; Piamsook Pongsawasdi; Warinthorn Chavasiri; Nawee Kungwan; Thanyada Rungrotmongkol
1-Jan-2018Molecular insights into inclusion complexes of mansonone E and H enantiomers with various β-cyclodextrinsPanupong Mahalapbutr; Bodee Nutho; Peter Wolschann; Warinthorn Chavasiri; Nawee Kungwan; Thanyada Rungrotmongkol
22-Sep-2015Excited-state proton-transfer reactions of 7-azaindole with water, ammonia and mixed water-ammonia: Microsolvated dynamics simulationKhanittha Kerdpol; Rathawat Daengngern; Nawee Kungwan
1-Jan-2017Theoretical guidance and experimental confirmation on catalytic tendency of M-CeO<inf>2</inf>(M = Zr, Mn, Ru Or Cu) for NH<inf>3</inf>-SCR of NOPhornphimon Maitarad; Jin Han; Supawadee Namuangruk; Liyi Shi; Chirawat Chitpakdee; Jittima Meeprasert; Anchalee Junkaew; Nawee Kungwan; Dengsong Zhang
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-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
1-Mar-2019QM/MM molecular modelling on mutation effect of chorismate synthase enzyme catalysisNarin Lawan; Pongsakorn Chasing; Jirapat Santatiwongchai; Sairoong Muangpil
1-Apr-2020Investigation of XANES study and energy transport phenomenon of Gd<sup>3+</sup> to Ce<sup>3+</sup> in CaO–SiO<inf>2</inf>–B<inf>2</inf>O<inf>3</inf> glassesR. Rajaramakrishna; S. Kaewjaeng; J. Kaewkhao; S. Kothan

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