Downloads provided by UsageCounts
Stationary points (transition states and minima) for the hydrolysis reactions of the imipenem in the active sites of the L1 and NDM-1 metallo-beta-lactamases. The reactions occure in three elementary steps each. For the NDM-1 there are two compeeting pathways leading to the different products. Enamine and imine forms of the hydrolyzed imipenem may form and those are marked with "N" and "C", respectively, according to the atom being protonated at the last step. Structures are calculated at the QM(PBE0-D3/6-31G**)/MM(AMBER) level.
L1, NDM-1, carbapenem, imipenem, metallo-β-lactamase, bacterial resistance, QM/MM
L1, NDM-1, carbapenem, imipenem, metallo-β-lactamase, bacterial resistance, QM/MM
| selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 0 | |
| popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Average | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Average |
| views | 9 | |
| downloads | 8 |

Views provided by UsageCounts
Downloads provided by UsageCounts