Tasneem Vaid

2 Questions 1 Answers 0 Followers

Questions related from Tasneem Vaid

In Gromacs, Umbrella sampling simulations of protein-ligand complex, which Force(kJ/mol/nm) vs time(ps) plot look better?

I am showing two curves here, both reaching convergence. Blue (force constant of 250 kJ/mol/nm and velocity 0.01 nm/ps) and orange (force constant of 500 kJ/mol/nm and velocity 0.05 nm/ps). To the...

19 November 2024 671 2 View

Does covalent inhibitors compete with the reducing agents (for e.g. DTT) to bind to the targeted nucleophilic residue (Cys)?

I am working on designing a covalent inhibitor for a kinase. We are using the ADPGlo kinase assay kit from Promega to assess the potency. Both assay and storage buffers have 0.25 mM DTT in them....

16 April 2021 7,164 3 View