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Questions related from Vishnu Kumar Sharma
I am trying to perform MD simulations in Amber for a protein-ligand complex (PDB id: 5YY1). The ligand is covalently attached to a side chain atom of an amino acid (for example: ----EDSKL---- a...
19 September 2019 6,434 3 View
I performed MMGBSA from prime module of Schrodinger which took 2 to 5 minute for calculation while MMGBSA from AMBER taking 3 to 5 hrs approximately. Why?
27 June 2018 839 4 View
I have to generate a virtual library. I have 10 different Scaffold or Head group, 10 different linkers to connect with Head group and 10 different Tail groups which can attach with linker on...
08 February 2017 9,094 2 View
Hi, I am to go for ligand based pharmacophore design, before going to start I need some basic knowledge about pharmacophore design like ligand based vs structure based, preliminary requirements or...
28 October 2015 7,865 3 View