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Questions related from Renuka devi J
I'm sharing our research protocol for devising a scaffold involving GSH and HA here FT IR spectrum is enclosed, requesting guidance to get a complete scaffold
3 weeks ago 535 0 View
i tried for free energy simulation with gmx_MMPBSA , i created the input file mmpbsa.in and performed in seperate conda environment( will attach the details of it too) but when i run commands i...
5 weeks ago 9,664 0 View
’m unable to view .xtc trajectory files from a 100 ns GROMACS simulation in PyMOL — it either crashes or gets stuck while loading. I’m not comfortable using VMD yet, and when I try to load...
01 August 2025 3,035 3 View
In molecular dynamics (MD) simulations, the trajectory video sometimes shows the protein "jumping" or appearing distorted. What causes these artifacts, and how can they be corrected? Once...
01 August 2025 5,251 3 View
After updating to Ubuntu 24.04, I’m facing frequent system hangs and crashes, especially during GROMACS post-simulation analyses (like RMSD). I get "core dumped" errors, Firefox freezes, and GNOME...
01 August 2025 6,298 0 View
Hi All My plant of interest contain terpenoids,I request your kind suggestions in formulating terpenoids as dosage form and any possibility in formulation in nanoscience
02 September 2016 2,029 1 View
Hi all I wish to optimise my antiinflammatory fraction of plant to successful lead against inflammation, After separation and optimisation insilico how to progress with and invivo evaluation of...
01 September 2016 2,798 3 View
Hi All How phytoconstituents should be studied to target anti inflammatory signalling molecules using different pathways such as NF- kB, IKK, MAPK, JAK STAT signalling?
03 May 2016 6,837 0 View
Hi All I want to test my isolated phytoconstituent for some biological activity( i.e antidiabetic or anticancer).How to screen individual phytoconstituent or the synthetic analog is potent?. How...
27 April 2016 10,278 3 View
Hi All I am planning to study the molecular mechanism that link inflammation and cancer. I request you to advice me that whether two phytoconstituents(which share same biological property) can be...
26 March 2016 3,476 3 View
Hi All I request you to guide whether any in silico prediction can be done prior in designing a novel drug delivery system. What are all the in silico parameters to be analysed in designing a...
20 September 2015 5,193 3 View
Can anyone help me in the insilico analysis of PK/PD parameters in the binding of drug(normal and engineered) and protein?
18 August 2015 4,358 0 View
I wish to study the signalling mechanism of some phytomolecules in angiogeneic activity in zebra fish or any other versatile invivo models
14 August 2015 5,987 2 View