1. CMU Intellectual Repository

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Results 1-10 of 44 (Search time: 0.005 seconds).
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Issue DateTitleAuthor(s)
29-Apr-2013MATLAB process for validating amino acids on CD4 involving in DARPin binding site from ZDOCK molecular docking databaseTanchanok Wisitponchai; Piyarat Nimmanpipug; Vannajan Sanghiran Lee; Chatchai Tayapiwatana
15-Mar-2013Conformations and spectroscopic properties of laccaic acid A in the gas phase and in implicit waterSupaporn Dokmaisrijan; Apirak Payaka; Vimon Tantishaiyakul; Montra Chairat; Piyarat Nimmanpipug; Vannajan Sanghiran Lee
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
14-Jan-2013Density functional molecular dynamics simulations investigation of proton transfer and inter-molecular reorientation under external electrostatic field perturbation: Case studies for water and imidazole systemsPiyarat Nimmanpipug; Janchai Yana; Vannajan Sanghiran Lee; Sornthep Vannarat; Suwabun Chirachanchai; Kohji Tashiro
1-Aug-2010The gas phase conformers and vibrational spectra of valine, leucine and isoleucine: An ab initio studySupaporn Dokmaisrijan; Vannajan Sanghiran Lee; Piyarat Nimmanpipug
1-Jan-2010Theoretical study of the Bombyx mori silk surface functionalization: Quantum mechanical calculation of the Glycine-Alanine unit reacting with fluorine and molecular dynamic simulation of wettabilityPadungsee Khomhoi; Waleepan Sangprasert; Vannajan S. Lee; Piyarat Nimmanpipug
1-Oct-2010Influence of metal cofactors and water on the catalytic mechanism of creatininase-creatinine in aqueous solution from molecular dynamics simulation and quantum studyVannajan Sanghiran Lee; Kanchanok Kodchakorn; Jitrayut Jitonnom; Piyarat Nimmanpipug; Prachya Kongtawelert; Bhusana Premanode
25-Apr-2012Computational and experimental study of low energy Ar<sup>+</sup>bombardment on NafionJanchai Yana; Vannajan Sanghiran Lee; Yuttakarn Rattanachai; Prayoon Songsiriritthigul; Min Medhisuwakul; Sornthep Vannarat; Supaporn Dokmaisrijan; Thiraphat Vilaithong; Piyarat Nimmanpipug
1-Dec-2015Proton transfer mechanism of 1,3,5-tri(2-benzimidazolyl) benzene with a unique triple-stranded hydrogen bond network as studied by DFT-MD simulationsPiyarat Nimmanpipug; Teerawit Laosombat; Vannajan Sanghiran Lee; Sornthep Vannarat; Suwabun Chirachanchai; Janchai Yana; Kohji Tashiro
1-May-2016Nucleotide-binding domain 1 modelling: A novel molecular docking approach for screening of P-glycoprotein inhibitory activity of bioflavonoidsPathomwat Wongrattanakamon; Vannajan Sanghiran Lee; Piyarat Nimmanpipug; Supat Jiranusornkul

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