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Questions related from Chandraprakash Gond
In my recent discussion with my colleague, he said that the 20 ns are good enough to do MD simulation, in another day, someone told me that either 30ns-50ns are needed to determine the complex...
08 January 2023 7,034 4 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 3,326 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 407 0 View
Hello everyone, I would like to ask something. Is there a suitable approach for screening compounds capable of binding to a protein? We only know the amino acid sequence of the protein (without 3D...
30 November 2022 1,569 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 5,648 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 6,147 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 1,516 2 View
Any specific reason for the unfavorable Bump. What is an Unfavorable Bump?
24 July 2022 1,129 0 View
