… docking program that accounts for protein flexibility has been developed. An adaptive
multi-generation evolutionary algorithm is … A subset of 37 protein-ligand complexes is chosen from …

… GOLD [11] is based on the genetic algorithm and Goldscore … of applying RL on the
protein–ligand docking problem will be … the A3C algorithms for the protein–ligand docking problem …

… been developed to predict protein-ligand binding affinity, and … largely focuses on protein-ligand
representation, model … the static structure of protein-ligand complexes obtained from …

… We adapted this model to the problem of binding cavity detection, and added functionalities
that allow to easily generate predictions for protein structures. The model takes protein …

… Meanwhile, the Lamarckian genetic algorithm is employed in AutoDock, which … dataset to
evaluate the docking performance, which consists of 285 protein–ligand complexes with high-…

… The 67 protein-ligand complexes that are used for the computational experiments are listed
in Table 1. We chose 67 protein-ligand complexes to cover a wide range of ligands differing …

… binding affinity (scoring power). Here, we focus on the latter: accurately predicting protein–ligand
binding affinity … (10) These algorithms, commonly posed as a regression problems for …

In this article, we present a new approach to expand the range of application of protein‐ligand
docking methods in the prediction of the interaction of coordination complexes (ie, …

… the classical Lamarckian genetic algorithm used by molecular docking software. Molecular
… presented an improved adaptive GA to solve the problem of protein–ligand docking. Li et al. …

… Since EDock is designed for protein ligand docking, we discard targets from this dataset
possessing metal ions and large ligands with > 50 heavy atoms and > 20 rotatable bonds, which …