User: yashwanthakumar

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Posts by yashwanthakumar

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Comment: C: Automation for Energy Minimizing protien structure
... Thanks for your reply. i have all the mutated pdb files now. I have to perform energy minimization for all the mutated structures. I cant run gromacs for all mutated structures one by one so I have to find a way for automating that. ...
written 5 months ago by yashwanthakumar0
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Comment: C: Automation for Energy Minimizing protien structure
... I have been using gromacs for energy minimization following some tutorial (Tutorial link:[http://www.mdtutorials.com/gmx/complex/index.html] [1] ) But i have to manipulate the topology files manually for that reason only I m searching for some GUI based or any scripts.Please go through the step in t ...
written 5 months ago by yashwanthakumar0
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Automation for Energy Minimizing protien structure
... I have nearly 100 pdb structures to be energy minimized. I need a tool or script to run multiple energy minimization at a stretch. My actual work is to predict the changes in function of a protein with few mutations. So I m in search of automating this process. This is ligand-protein structure. ...
energy minimization gromacs protein structure written 5 months ago by yashwanthakumar0 • updated 5 months ago by fracarb810
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Where can i get virus nt database for blastn?
... I have human genome samples and I want to find any bacterial or viral integration with my genome. But I couldnt find any nt database for virus. ...
genome database nt blastn virus written 12 months ago by yashwanthakumar0

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