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Browsing Kimya Mühendisliği by Subject "Monte Carlo method."

Browsing Kimya Mühendisliği by Subject "Monte Carlo method."

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  • A study on protein conformational transitions by Monte Carlo simulations 
    Aydın, Bahar. (Thesis (M.S.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2010., 2010.)
    Exploration of conformational transitions between two different conformational states of proteins reveals significant information about their action mechanism and function. In this thesis, the recently developed anisotropic ...
  • Conformational transitions of proteins explored by Monte Carlo simulations integrated with collective modews 
    Çarşıbaşı, Nigar Kantarcı. (Thesis (Ph.D.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2009., 2009.)
    Elucidation of conformational transitions between open/closed or free/bound states of proteins sheds light on the mechanism of their action. In this thesis, a new technique (ANM-MC) is proposed, in which collective modes ...
  • Investigation of dynamic allostery in motor proteins 
    Kaya, Cihan. (Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2013., 2013.)
    Allostery is a key concept in regulation of protein function. The communication pathways which are equivalent of the allosteric signaling or energy propagation pathways are the most significant aspect of allosteric mechanism. ...
  • Monte Carlo (MC) path generation and small-world network approach to identify functional residues in proteins 
    Armutlulu, Andaç. (Thesis (M.S.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2009., 2009.)
    Allosteric mechanism of proteins is crucial for their proper functioning. An important aspect underlying this mechanism is the communication pathways connecting the regulatory and active sites of proteins. Monte Carlo (MC) ...
  • Reverse Monte Carlo modeling of Ge-As-Te chalcogenide glass system 
    Yurtsever, Çisem. (Thesis (M.A.) - Bogazici University. Institute for Graduate Studies in the Social Sciences, 2017., 2017.)
    Chalcogenide glasses are well known for their wide technological applications due to their optical, structural and electrical properties. Their wide-ranging applications can be stated as infrared optical fibers, optical ...
  • Reverse Monte Carlo modeling of metakaolin and metakaolin-based geopoymer 
    Arca, Serhat. (Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2016., 2016.)
    A metakaolin-based geopolymer with an approximate composition of NaAlSi2O6.5.5H2O is synthesized by mixing metakaolin powder with a Na2Si3O7/NaOH solution at ambient conditions. High-energy x-ray diffraction data are ...
  • Trageted conformational transition pathways of large proteins by integrating elastic network modeling with Monte Carlo simulations 
    Yeşiltepe, Yasemin. (Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2017., 2017.)
    ANM-MC is a coarse-grained simulation technique, in which the anisotropic network model (ANM) generates the collective modes for deforming the protein structure towards target direction, and Monte Carlo (MC) algorithm ...

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