Michael Afiadenyo

3 Questions 10 Answers 0 Followers

Questions related from Michael Afiadenyo

Considering that each ligand has differences in complexity (different number of atoms), is important to remark that binding scores could be biased?

Considering that each ligand has differences in complexity (different number of atoms), is important to remark that binding scores could be biased by this fact. How did you quantify the dependence...

05 April 2023 4,143 1 View

I did a docking and got a negative binding energy(-9.9kcal/mol) but after performing MM/PBSA for that same complex, I am getting 8323kJ/mol?

Molecular docking and Molecular mechanics Poisson Boltzmann Surface Area (MMPBSA)

09 June 2022 1,973 5 View

Validation of modeled protein structure

Apart from the Ramachandran plot, what are the various ways of validating the structure of a modeled protein? What are the parameters one need to consider when validating a modeled protein structure.

01 January 1970 8,878 3 View