Kulandaisamy A

3 Questions 9 Answers 0 Followers

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How to compute the relative lipid accessibility (RLA) of membrane proteins in NACCESS program?

Hi, Typically, the solvent accessibility of water-soluble protein is computed by using a water molecule with a size of 1.4 Å). For my research work, I need to compute the relative lipid (-CH2 as a...

15 February 2020 477 8 View

How to calculate the van der Waals' interaction energy ?

When i calculated the van der Waals' interaction energy between protein atoms and ligand atoms, i got energy values in +ve . Example: atom1 distance atom2 C 1.82Å O i...

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How to add Cobalt atomic parameter in autodock 4.2

Hi, I have tried to cobalt(Co) mixed complex of ligand docked with my receptor by using autodock. i am getting following error: " autogrid4.exe: ERROR: unknown ligand atom type Co"add parameters...

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