Title

Unlocking High-Throughput Investigation of Transport Tunnels in Enzymes Using Coarse-Grained Simulation Methods.

Type

Publication

Author

Mandal N, Stevens JA, Poma AB, Surpeta B, Sequeiros-Borja C, Thirunavukarasu AS, Marrink SJ, Brezovsky J.

Year

2026

Journal

J Chem Theory Comput

Volume

Epub ahead of print

DOI

10.1021/acs.jctc.5c01727