Concepedia

Concept

molecular docking

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1.2M

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71.3K

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About

Molecular docking is a computational technique used to predict the optimal binding geometry and strength of interaction between a small molecule (ligand) and a macromolecular target (receptor), typically a protein or nucleic acid. This method investigates the possible binding modes by exploring the conformational space of the ligand and the receptor's binding site, evaluating the resulting intermolecular forces and scoring the likelihood of stable complex formation. Its significance is substantial in the fields of rational drug design, lead discovery and optimization, and the study of molecular recognition mechanisms in biological systems.

Top Authors

Rankings shown are based on concept H-Index.

JA

University of California San Diego

BK

University of California, San Francisco

TH

Zhejiang University

GK

Philipps University of Marburg

AM

Utrecht University

Top Institutions

Rankings shown are based on concept H-Index.

University of California, San Francisco

San Francisco, United States

San Diego, United States

Howard Hughes Medical Institute

Chevy Chase, United States

Harvard University

Cambridge, United States