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Questions related from Jameel M. Abduljalil
Hello everyone I had a kinase+ATP-Mg complex. I ran MS simulation for 100 ns. via GROMACS and CHARMM36. The system is stable (backbone RMSD is and reach plateau before 20 ns.). When I used...
03 November 2022 3,787 11 View
Hello everyone Can I use Vina to dock analogues of nucleotides triphosphates into a polymerase active site coordinating Mg ions? The ions are also typically in coordination with water molecules...
30 April 2022 4,647 2 View
Molecular Operating Environment (MOE) and Maestro (Schrodinger) are both all-in-one suites for in silico drug discovery and design. But which of them is more accurate and more commonly used in the...
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Catalase is an enzyme used by aerobic and most facultative anaerobe bacteria to split the toxic H2O2 into water and O2. Surprisingly, Bacteroides fragilis is a strict anaerobic bacteria. It's...
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I would like to draw a figure for nucleic acids strands in pipe-like appearance with some curvatures and colors. I want the figure to be attractive, not just a collection of dull thick lines.
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Hello all Is there any reliable and free web server that runs molecular dynamics simulation of proteins?
01 January 1970 2,038 4 View
Dear all I have a protein model (generated via homology modeling) for a long protein. When I tried to minimize the structure via UCSF Chimera (after adding hydrogen), I got an error message...
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