… of scoring function performance dominate operational performance. The first is the degree to
which a scoring function has a global extremum within the ligand pose … of the function at the …

… In this perspective, we have reviewed three basic types of scoring functions (force-field, … the
scoring functions in literature developed for protein–ligand interactions in molecular docking. …

… have been developed, their direct applications for docking and screening are limited. We …
protein–ligand scoring function by augmenting the traditional scoring function Vina score using …

… scoring functions, PLANTS CHEMPLP and PLANTS PLP , designed for our docking algorithm
PLANTS (Protein−Ligand … , to parts of already published scoring functions and force fields. …

… –ligand interactions is still a challenge in molecular docking. For this reason, this study reviews
four basic types of scoring functions, … of the scoring functions for protein–ligand docking …

… have varied widely, with a number of functions yielding … of scoring functions for protein-ligand
docking is presented. … scoring functions is a technique in protein-ligand docking that …

… scoring function, a major motivation for the current work is to develop a linear empirical scoring
function to improve its scoring … –ligand interactions and midrange interactions. In the Vina …

… pose was within 2 Å of the crystal conformation while gray bars indicate the additional
percentage of ligands docked within 4 Å. Where multiple protocols were possible for a given …

… for scoring function … of Scoring Functions (CASF) benchmark for scoring function evaluation.
Our key idea is to decouple the “scoring” process from the “sampling” process, so scoring …

… ligand docking and binding affinity prediction. eSimDock employs nonlinear machine
learning-based scoring functions to improve the accuracy of ligand … ) of the predicted ligand poses …