Incorporating Prior Knowledge in the Seeds of Adaptive Sampling Molecular Dynamics Simulations of Ligand Transport in Enzymes with Buried Active Sites.
| Typ | Publikacja |
|---|---|
| Autorzy | Sarkar DK, Surpeta B, Brezovsky J. |
| Rok | 2024 |
| Czasopismo | J Chem Theory Comput |
| Tom | 20(14):5807-5819 |
| Strony | 10.1021/acs.jctc.4c00452 |