| Title : Serine protease acylation proceeds with a subtle re-orientation of the histidine ring at the tetrahedral intermediate - Zhou_2011_Chem.Commun.(Camb)_47_1577 |
| Author(s) : Zhou Y , Zhang Y |
| Ref : Chem Commun (Camb) , 47 :1577 , 2011 |
|
Abstract :
The acylation mechanism of a prototypical serine protease trypsin and its complete free energy reaction profile have been determined by Born-Oppenheimer ab initio QM/MM molecular dynamics simulations with umbrella sampling. |
| PubMedSearch : Zhou_2011_Chem.Commun.(Camb)_47_1577 |
| PubMedID: 21116528 |
Zhou Y, Zhang Y (2011)
Serine protease acylation proceeds with a subtle re-orientation of the histidine ring at the tetrahedral intermediate
Chem Commun (Camb)
47 :1577
Zhou Y, Zhang Y (2011)
Chem Commun (Camb)
47 :1577