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Questions related from Zalikha Ibrahim
I want to search for non-competitive inhibitors for my protein of interest. There are so far no allosteric site published about this protein, but it has been reported that even after the...
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I performed a molecular docking of a ligand-protein complex. The ligand has a missing fluorine atom, so I added the fluorine using pymol. The redocking procedure of both crystal and fluorine-added...
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I want to mutate an ALA to a CYS using COOT software, but I couldn't achieve my desired coordinates by clicking 'simple mutation' button. I found another button in COOT 'mutate and auto fit', but...
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I want to perform docking onto a calcium-dependent protein. Based on x-ray crystal structures, these calcium ions do not bind directly to ligands, but they do help in maintaining the structure of...
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I want to see if there's any rare conformation on a protein. I have done the classical MD, but it seems too detailed that I couldn't see any distinct transition. Any idea on how to...
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I want to simulate a protein using PDB file extracted from Protein Data Bank. After inspection, I noted that the protein atoms in the PDB has ANISOU atoms. In my understanding, this type of atoms...
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