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Questions related from Chandraprakash Gond
I have run my MD simulation and i want to calculate the energy between my 2 chains, but i don’t know how to execute the ndx file? Thank you
30 November 2022 3,321 1 View
I have run my MD simulation and I want to calculate the energy between my 2 chains, but i don’t know how to execute the ndx file? Thank you
30 November 2022 403 0 View
I found that hydrophobic comprised of many types such as pi-sigma interaction, alkyl interaction etc. What are the differences between them? Can someone enlighten me? I am still new in this field....
27 September 2022 5,636 1 View
I did docking so I have delta G values for the top ranking ligands, i computed Ki using Ki = EXP(-delta G/RT). My question: Is there a way to calculate IC50 from this? I read somewhere we can...
24 July 2022 6,143 3 View
the molecular Docking simulation does not generate an IC50 value, it gives calculated inhibition constant (Ki) values! Unless you know a method and equation to make this conversion, you cannot...
24 July 2022 1,511 2 View
Any specific reason for the unfavorable Bump. What is an Unfavorable Bump?
24 July 2022 1,115 0 View