Ontology highlight
ABSTRACT:
SUBMITTER: Choi KE
PROVIDER: S-EPMC6681432 | biostudies-literature | 2019 Jul
REPOSITORIES: biostudies-literature
Molecules (Basel, Switzerland) 20190722 14
Water molecules play a key role in protein stability, folding, function and ligand binding. Protein hydration has been studied using free energy perturbation algorithms. However, the study of protein hydration without free energy calculation is also an active field of research. Accordingly, topological water network (TWN) analysis has been carried out instead of free energy calculation in the present work to investigate hydration of proteins. Water networks around 20 amino acids in the aqueous s ...[more]