Insights into the Molecular Mechanisms of Protein-Ligand Interactions by Molecular Docking and Molecular Dynamics Simulation: A Case of Oligopeptide Binding Protein
Algorithm 2
Pseudocode of RDPSO.
(1)
Initialize the positions and velocities of all particles randomly;
(2)
Evaluate the objective function value f(Xi,n);
(3)
Set the personal best position of each particle to its current position;
(4)
Set n = 0;
(5)
While (termination condition = false) do
(6)
n = n + 1;
(7)
Compute mean best position Cn according to equation (3);
(8)
For (i = 1 to M)
(9)
Update the personal best position (Pi,n) and global best position (Gn);
