Unlocking High-Throughput Investigation of Transport Tunnels in Enzymes Using Coarse-Grained Simulation Methods.
| Type | Publication |
|---|---|
| Authors | 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 | 22(1):135-150 |
| Pages | 10.1021/acs.jctc.5c01727 |