Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2018:1705:207-232.
doi: 10.1007/978-1-4939-7465-8_10.

Methodologies for the Examination of Water in GPCRs

Andrea Bortolato  1 , Benjamin G Tehan  2 , Robert T Smith  1 , Jonathan S Mason  1
Affiliations

Methodologies for the Examination of Water in GPCRs

Andrea Bortolato et al. Methods Mol Biol. 2018.

Abstract

The following chapter examines some of the current "state-of-the-art" tools for predicting, scoring, and examining explicit water molecules in proteins and protein/ligand complexes, highlighting some of the ways information can be readily examined in a manner that is useful in a drug discovery process.

Keywords: Molecular dynamics; Water; Water energetics; Water perturbation; WaterFLAP; WaterMap.

PubMed Disclaimer

LinkOut - more resources