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Questions related from Sourav Majumdar
i submitted my paper on 28th dec 2023, after 3times revision, i submitted it on 1april 2024, still is under review, what could be the outcome?
13 April 2024 1,362 5 View
I had taken two receptors related to anti hypertensive activity and docked 25 ligands with them. Conceptual DFT,MD simulation, ADMET and trajectory analysis also done. Can It be published and in...
23 March 2024 7,268 4 View
After doing virtual screening of the complex, i had done md simulation study of the protein-ligand complex for 40ns and i had got the curves. can anyone explain about their significance with...
14 July 2023 4,787 4 View
Traceback (most recent call last): File "/home/anup/sourav/3m3v/protein-ligand/cgenff_charmm2gmx_py3.py", line 54, in import networkx as nx File...
01 February 2023 5,061 0 View
After installing gaussian 16 in windows version, i tried to run a molecule in it but it failed having empty output file. please suggest possible solutions.
21 January 2023 994 1 View
I want to do free protein MD simulation of the protein pdb I'd 3LV3, that's why I'm telling if any inhibitor part is attached to the free protein or not. If so, on which chain the inhibitor part...
22 November 2022 2,530 1 View
the green colour graph is for protein and the red colour graph is for protein-ligand system
19 October 2022 8,949 0 View
Warning the largest distance between excluded atoms is 1.390 nm, which is larger than the cut off distance. This will lead to missing long range corrections. I am attachingthe supporting file for...
11 October 2022 5,715 0 View
After doing molecular docking by using autodock tools. Can a docking result also correlates with different global reactivity parameters of the ligands used in the docking.
27 September 2022 6,220 5 View
