Title

Impact of water models on structure and dynamics of ligand-transport tunnels in enzymes derived from molecular dynamics simulations.

Type

Preprint

Author

Agrawal N, Brezovsky J.

Year

2023

Journal

bioRxiv

DOI

10.1101/2023.04.19.537534

PDF

https://www.biorxiv.org/content/10.1101/2023.04.19.537534v1.full.pdf