Hello there!!

I am looking forward to doing a master’s degree in Molecular Biology in the following year. I am especially interested in structural biology and drug/receptor molecular docking studies. I am currently using a 2017 Dell XPS 15 (i7+GTX-960M) and, due to several reasons, it is beginning to feel old for my actual needs.

I have thought of building a workstation-PC that can; withstand the processing needs of the software that I will use at the master’s degree, and allow me to process the acquired data in the most pleasant and desirable way.

I do not know what types of software I will certainly use, but I am pretty sure that molecular modelling software (such as PyMOL) and statistical analysis software (like SPSS/R) will be a must.

I have thought of building a PC with the following specifications, I am interested in a small form factor build:

  • CPU: Ryzen 2700x (8c/16t).
  • Motherboard: B450 mini ITX.
  • RAM: 16 GB DDR4 3000-3200 MHz.
  • GPU: GTX 1660 or RTX 2060.
  • Storage: 1TB M.2. SSD + 2TB HDD
  • PSU: 650-750 W 80 Plus GOLD.
  • Case: miniITX case.

Total price: 1.000 €

After having said all that, I would like to ask you some questions:

  • ¿What types of software are used in Molecular Biology? ¿Do they benefit of GPU accelerated calculations?
  • -¿Do PyMOL, and other molecular modelling software, really benefit of a performance GPU? ¿If so, how much?
  • ¿What do you think about the parts I chose? ¿Would you change any of them?
  • Thank you very much in advanced.

    -J. Tasis

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