Kungl. Tekniska Högskolan Royal Institute of Technology
School of Biotechnology
Department of
Theoretical Chemistry
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Arul Murugan (Researcher)
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N. Arul Murugan (Researcher),
Division of Theoretical Chemistry and Biology,
School of Biotechnology,
Royal Institute of Technology,
Sweden.
Recent publications
Promising two-photon probes for in-vivo detection of beta amyloid deposits.
N. Arul Murugan, Robert Zalesny, Jacob Kongsted, Agneta Nordberg and Hans Ågren Chem. Comm., (2014)
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Modeling of anionic and dianionic forms of bromocresol green responsible for pH dependent changes of optical properties.
N. Arul Murugan, S. Schrader and H. Ågren J. Chem. Theory Comput., (2014)
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My main Research Topics
o Hybrid QM/MM modeling of structure and properties.
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o Ab initio based novel materials design.
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o Behavior of molecules in restricted dimensions.
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o Molecular aggregation
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o Materials under extreme pressure and temperature.
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o Code development.
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My current Projects:
o Color modeling (Solvatochromism, thermochromism, enzymichromism, metallochromism).
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o Solvent and protein cavity effects on molecular structure and conformational distribution in flexible molecules.
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o Modeling structure and properties of silicon clusters in solution
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o Investigations into short-range order in hydrogen-bond network forming liquids
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o Hydrogen bond break dynamics in the vicinity of biological molecules
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murugan-at-theochem.kth.se