The latest automated docking technologies for novel drug discovery.

Published in: Expert opinion on drug discovery (2020)

There are several issues being worked on in recent years that will lead to important breakthroughs in molecular docking methods in the near future These developments are related to more efficient exploration of large datasets and receptor conformations, advances in electronic description, and the use of structural information for guiding the selection of results.

Keyphrases

molecular docking
drug discovery
molecular dynamics simulations
molecular dynamics
machine learning
deep learning
current status
high throughput
protein protein
health information
rna seq
healthcare
binding protein
drug induced