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Questions related from Ashfaq Ahmad
Hi, Our wet-lab results inhibit bacterial growth against certain compounds. We are interested to predict its possible targets from bacteria. I came to know about Inverse docking but I did not find...
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Hello, I know my title isn't well matching. We got six crystal structures of the same enzymes with different inhibitors. Based on IC50 values, all these 6 are differently potent to microbial...
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Hello NAMD Community, I am simulating Protein with two Zinc ions in the active pocket. Two types of parameter files are introduced in conf.file (par_all36_prot.prm and par_all22_prot_metals.inp)....
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Well, I followed the autodock tutorial for virtual screening but eventually I remained unable to submit a successful job through PBS. Next, I tried Raccoon, a program designed by the same group...
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Hello Every One, I am using NAMD for the last couple of years. Now I got a chance to use NAMD on cluster. To ask very simply, can any one provide me a kind of script.sh or tell me how to make...
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