Akash G. Kendre

8 Questions 15 Answers 0 Followers

Questions related from Akash G. Kendre

How can we go one step ahead in advanced Molecular Dynamics?

While performing Molecular Dynamics we do a pre-defined set of analysis, which is becoming norm & somehow saturated, therefore, which are some advanced steps we can perform to go ahead that...

24 December 2024 6,688 3 View

How to combine Traditional Network Pharmacology studies of Phytoconstituents in Nature with Artificial Intelligence (AI) ?

What are the best & effiecient ways we can utilize AI alongwith Network Pharmacology studies to validate the phytoconstituents of plants ?

18 December 2024 2,363 2 View

Which are the differences between Simple Docking of Ligand & Protein vs Metal containing ligand-protein docking ?

What are the best modules/softwares specially used for this king of Metal Docking & what are the precautions are must to be taken ?

12 December 2024 3,161 2 View

Most latest & efficient way of plotting RMSD & RMSF Graphs of MD Simulations of Protein-Ligand Complex ?

Which is the most latest & efficiently best way of representing the RMSD & RMSF Plots of multiple complexes of MD Simulations of Protein-Ligand complexes ?

11 December 2024 2,502 3 View

Which are the best publicly available data sources authentic for research purpose ?

Which are the reliable publicly open data sources that we can use in AI-driven drug discovery research?

05 December 2024 7,440 0 View

Why IFD takes too much time ?

Which are the steps that can be taken to reduce the time for screening of phytochemicals using Induced-Fit Docking ?

04 December 2024 611 0 View

What is the importance of ADME studies of small molecules using qikprop module of Schrodinger in comparison with other online tools like swiss ADME ?

What is the clear differences between them and which one should be preferred for nearly accurate ADME predictions of small molecules ?

25 November 2024 1,441 2 View

Why Induced Fit Docking is preferred for phytochemicals ?

What are the pros & cons of Induced Fit Docking (IFD).

18 November 2024 9,030 4 View