1. CMU Intellectual Repository

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Results 1-10 of 20 (Search time: 0.003 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-Nov-2006Structural and dynamical properties of different protonated states of mutant HIV-1 protease complexed with the saquinavir inhibitor studied by molecular dynamics simulationsOrnjira Aruksakunwong; Kitiyaporn Wittayanarakul; Pornthep Sompornpisut; Vannajan Sanghiran; Vudthichai Parasuk; Supot Hannongbua
1-Jul-2009Litchi chinensis-derived terpenoid as anti-HIV-1 protease agent: Structural design from molecular dynamics simulationsPiyarat Nimmanpipug; Vannajan S. Lee; Peter Wolschann; Supot Hannongbua
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-Sep-2007Structural analysis of lead fullerene-based inhibitor bound to human immunodeficiency virus type 1 protease in solution from molecular dynamics simulationsVannajan S. Lee; Piyarat Nimmanpipug; Ornjira Aruksakunwong; Siriporn Promsri; Pornthep Sompornpisut; Supot Hannongbua

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