Sentence examples for molecular docking problem from inspiring English sources

Many different algorithms and approaches try to solve the molecular docking problem.

The main objective of the molecular docking problem is to find a conformation between a small molecule (ligand) and a receptor molecule with minimum binding energy.

The molecular docking problem can be regarded as the key matching problem where the lock and key are the receptor and ligand, respectively, and the goal of all the simulations is to provide an efficient way to find the approximate positions of the key and lock from a large search space or the candidate set of drugs.

In conclusion, the paper presents the CEPGA which combines genetic algorithms, crossover elitist preservation (CEP), and local search method to extends the power of the GA_based algorithm for molecular docking problems.

As molecular docking poses a challenging problem in rational drug design many workgroups have lavished their attention on finding and testing various docking techniques in order to maximize their benefits.

Distinguishing active from inactive compounds is one of the crucial problems of molecular docking, especially in the context of virtual screening experiments.

This paper addresses the high computational demand to exhaustively execute molecular docking simulations on FFR models, as well as the problem of accurately selecting a small set of representative docking results to be analyzed by a domain expert.

A more complex computational problem is the prediction of intermolecular interactions, such as in molecular docking and protein protein interaction prediction.

This is known as the "docking problem".

Molecular docking is a key tool in structural molecular biology.

Molecular docking studies further substantiated screening results.