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Questions related from Marawan Ahmed
Did any one work with the Particle Swarm optimization algorithms built over Autodock, such as PSO@Autodock, FipsDock and Sodock. I would like to know the virtual screening performance in real...
09 September 2015 6,850 5 View
I have a protein homology model which I am currently running MD simulations for. I am asking if there is a way to force this protein to adopt a certain conformation of another homologous protein...
10 October 2014 5,125 7 View
I want to do an MD simulation to see the transition of a ligand molecule between two hosts. My first host is a cyclodextrin (Drug carrier), the second host is Albumin. I would like to see if the...
09 September 2013 8,606 5 View
Which is better for membrane protein simulation: NAMD or GROMACS? If someone has a experience regarding the ease of set-up, availability of the analysis tools, accuracy, etc please let me know
08 August 2013 5,611 2 View
I want to push a bound ligand from a host carrier to a protein active site using SMD and PMF and i want to trace the free energy change associated with this process. Can I think about it as a...
08 August 2013 7,105 2 View