Maurice Tutor

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    Argosy University/ Phoniex University/
    Nov-2005 - Oct-2011

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    Phoniex University
    Oct-2001 - Nov-2016

Category > Management Posted 12 Jun 2017 My Price 15.00

classical Molecular Dynamics Simulations

1)With regard to classical Molecular Dynamics Simulations, describe

a.the main energy functions employed to model interactions between atoms and

b.the general simulation method for generating molecular motions (~600 words, 10 marks)

 

2)Is the classical MD simulation method described in the Weeks 2 and 3 lectures suitable for studying chemical reactions at the atomic scale? Why or why not? If not, very briefly(in 1-2 sentences) describe an alternative method that could model chemical reactions. (~200 words, 5 marks)

 

3)Briefly describe ONE recent application (published after 2011) of molecular dynamics simulation in biology that was not covered in lectures. In particular, answer the following as appropriate:

a.Summarise the aims, methods and findings of the study

b.What results or insights were obtained using molecular modelling that could not be obtained using current experimental methods? Alternatively, how could the modelling results be tested experimentally?

c.How would you improve the model(s) employed in the study?

Hint: Use “Web of Science”, Scopus and other literature search databases and search for keywords such as “proteins and molecular dynamics”. Remember to reference your source/s. (~600 words, 15 marks)

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Maurice Tutor
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Status NEW Posted 12 Jun 2017 11:06 AM My Price 15.00

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