Advise for a computational neophyte

Forum:Advise for a computational neophyte


Hello, biostars!
Once I have earned B.Sc. in Biotechnology (in Russia it’s a pretty weird combination of biology, engineering and almost all branches of chemistry), turned to a bigger city to gain a M.Sc. degree. In our research lab we have 2 professors for a consultation. One is mostly for QM approach of small systems and another is for big data analysis, MD, bioinformatics and proteins.
As a second – year M. Sc. student I am interested in computational chemistry in general. By this moment I have the experience in QM computation (optimisation, Gibb’s energies computation for a variety of chemical compounds). Also, I finished Lemkul tutorials and plan to end up with VMD&NAMD tutorials available online by Theoretical and Computational Biophysics Group. But I am encouraged to go further.
So, the question is: what courses do I have to take to finish at least mediocre final thesis? Maybe learn how to script on Python?
Are there in the Internet a number of other tutorials that are Lemkul – like?
Are there regular computational chemistry seminars/open workshops? Maybe some research groups are looking for a beginner students for remote working or studying?
Maybe you have popular treads with similar questions? Attach the links please
To specify the question, the scope of my interests lies in the area of biochemistry: proteins, genes, genetic regulation, oligonucleotides, small molecule, also some bioinformatic approach can be used… I am not so interested in solid state chemistry (i.e. adsorption modeling) because not keen on physics…
Patiently waiting for your respond!







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