1932

Abstract

We review recent developments in our understanding of molecular recognition and ligand association, focusing on two major viewpoints: () studies that highlight new physical insight into the molecular recognition process and the driving forces determining thermodynamic signatures of binding and () recent methodological advances in applications to protein-ligand binding. In particular, we highlight the challenges posed by compensating enthalpic and entropic terms, competing solute and solvent contributions, and the relevance of complex configurational ensembles comprising multiple protein, ligand, and solvent intermediate states. As more complete physics is taken into account, computational approaches increase their ability to complement experimental measurements, by providing a microscopic, dynamic view of ensemble-averaged experimental observables. Physics-based approaches are increasingly expanding their power in pharmacology applications.

Loading

Article metrics loading...

/content/journals/10.1146/annurev-physchem-040412-110047
2013-04-01
2024-04-26
Loading full text...

Full text loading...

/content/journals/10.1146/annurev-physchem-040412-110047
Loading
/content/journals/10.1146/annurev-physchem-040412-110047
Loading

Data & Media loading...

  • Article Type: Review Article
This is a required field
Please enter a valid email address
Approval was a Success
Invalid data
An Error Occurred
Approval was partially successful, following selected items could not be processed due to error