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Masters Discussion Forum

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Question: Inquiry about Computational Chemistry, Biophysics, etc. masters degrees?


User: KarimAfifi - 17 September 2017 03:08

I have just had my BSc in Computer Science and I am looking to inquire about which field I should pursue in completing my masters degree. My graduation project was related to protein docking. I analyzed different approaches to improve the performance of scoring functions by using different techniques such as machine learning. I also implemented some scoring functions like X-Score and RF-Score. I have experience in using programs like Vina, AutoDock and Open Babel. I also implemented a simple molecular viewer. I have a good amount of knowledge in the field of structure-based drug design. So I am looking for some advice on which field would accept me as a masters students though I graduated from computer science. Any recommendation would help. Examples of approaches I am looking to get into are Computational Chemistry, Biophysics… What would be the most suitable for me to complete a masters degree and which is better as a career option? Any advice will be appreciated.

User: pm133 - 18 September 2017 14:09

Quote From KarimAfifi:
I have just had my BSc in Computer Science and I am looking to inquire about which field I should pursue in completing my masters degree. My graduation project was related to protein docking. I analyzed different approaches to improve the performance of scoring functions by using different techniques such as machine learning. I also implemented some scoring functions like X-Score and RF-Score. I have experience in using programs like Vina, AutoDock and Open Babel. I also implemented a simple molecular viewer. I have a good amount of knowledge in the field of structure-based drug design. So I am looking for some advice on which field would accept me as a masters students though I graduated from computer science. Any recommendation would help. Examples of approaches I am looking to get into are Computational Chemistry, Biophysics… What would be the most suitable for me to complete a masters degree and which is better as a career option? Any advice will be appreciated.

Are you looking to write code or to simply use existing tools?
Want do you want to do career-wise afterwards?
I think PIs are more interested in enthusiasm rather than needing something specific.

User: BevCha - 18 September 2017 17:41

Hi Karim

I can only speak from my experience - I did chemistry as an undergraduate degree then a PhD in applying computational chemistry to photonic systems and then have been a post doc fellow where I have used a range of computational chemistry packages to model various systems.
There is in my experience two main fields - one is method development (parameterisation, developing basis sets, code development etc... the other is the USE of these codes/basis sets/computational packages to model proteins/ligands/dna/catalysts so and so forth. So, I guess what I'm trying to get across to you is maybe think about where you would find the most enjoyment - development or application?That is of course not to say that there is a very distinctive divide and if you do one you cannot do the other, but you need to consider the goals of what a potential supervisor has and what their group focuses on and think about how you would fit in.
All the best with your decision making!




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