Software for molecular docking: a review

NS Pagadala, K Syed, J Tuszynski - Biophysical reviews, 2017 - Springer
Molecular docking methodology explores the behavior of small molecules in the binding site
of a target protein. As more protein structures are determined experimentally using X-ray …

The ClusPro web server for protein–protein docking

D Kozakov, DR Hall, B ** as a general and versatile optimization framework for the characterization of biological macromolecules
B Olson, I Hashmi, K Molloy… - Advances in Artificial …, 2012 - Wiley Online Library
Since its introduction, the basin hop** (BH) framework has proven useful for hard
nonlinear optimization problems with multiple variables and modalities. Applications span a …

Protein–protein docking dealing with the unknown

IS Moreira, PA Fernandes… - Journal of computational …, 2010 - Wiley Online Library
Protein–protein binding is one of the critical events in biology, and knowledge of proteic
complexes three‐dimensional structures is of fundamental importance for the biochemical …

Decoding protein-protein interactions: An overview

O Slater, B Miller, M Kontoyianni - Current Topics in Medicinal …, 2020 - ingentaconnect.com
Drug discovery has focused on the paradigm “one drug, one target” for a long time.
However, small molecules can act at multiple macromolecular targets, which serves as the …