Docking Assessment Assignment | Get Paper Help
Hi, I am doing Mat’s in Pharmaceutical am looking for docking assessment 2000 words See attachedBMS11104 – Current Practice in Drug Development
RE-SIT 2020
Assessment: Computer Aided Drug Design
computer lab report (max. 2000 words)
1. Compare the binding of the inhibitors in the provided X-ray structure xray01.pdb with the two
2AYL and 3PGH structures. Why is the xray01 of significance?
2. Docking analysis: You are provided with a set of calculations (see individual email for you) and
have to analyse the interactions and draw conclusions regarding the inhibition capability of the
provided ligands to COX enzymes.
You have to analyse the docking for three molecules (Ax, Bx, Cx), calculations are provided
for COX-1 and COX-2.
Discuss and compare the results for the different enzymes.
Student name: Matriculation number:
Section Comments Mark
Introduction:
Topic must be well
introduced and aims of
experiment must be clear.
/10
Results & Discussion
Data clearly described and
presented. Informative and
appropriate figure legends.
Figures must be clear and
unambiguous.
Clear and unambiguous
discussion.
/50
(1. 20
2. 30)
Conclusion
Well-reasoned conclusions
supported by data.
/30
Layout and structure:
Clear and logical layout with
sections, numbered graphs
and tables, descriptive figure
legends.
/10
Overall mark: /100
Assessor
Signature:
Date:
Format: Arial, font size 12 and 1.5 line spacing.
The report can be submitted as Word file.
Friday 7th August at 5pm.
