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Questions related from Jitendra Maharana
MD simulation of two different complexes (dimer and oligomer complexes) of two proteins were performed using GROMACS and the binding energies of a specific interface (1000 snapshots) was...
01 January 2018 9,256 4 View
Hi, During a computational work, I got some interesting result. I found a strong interaction between two proteins from Molecular dynamics simulation. A 100ns simulation clearly shows the stability...
07 July 2016 2,400 5 View
Dear All, I have two different proteins and experimental evidence suggests that the interaction mediated by them is an electrostatic component. I modelled the protein, calculated the electrostatic...
03 March 2016 6,174 4 View
I did some 2700 ns MD simulation of two protein ligand complexes in Gromacs. However I kept only 0.5 nm distance between protein-surface and box edge. Is it acceptable?
02 February 2016 3,830 8 View
I have (series of) two different MD trajectories of protein-ligand complex. In complex-I, the ligand was docked with the protein manually, however in complex-II, the docking was performed in...
01 January 2016 5,376 3 View
I have 5 proteins and a single ligand. Only two has experimental data to support my study, however other 3 don't have any report. All 5 proteins containing a single ligand binding motif. I docked...
12 December 2015 9,574 5 View
