Role of Water in the Puzzling Mechanism of the Final Aromatization Step Promoted by the Human Aromatase Enzyme. Insights from QM/MM MD Simulations.
Jacopo SgrignaniMarcella IannuzziAlessandra MagistratoPublished in: J. Chem. Inf. Model. (2015)
Keyphrases
- post processing
- human behavior
- human interaction
- human subjects
- real time
- case study
- simulation model
- human computer interaction
- numerical simulations
- human experts
- cognitive process
- selection mechanism
- human cognition
- preprocessing
- three dimensional
- image segmentation
- information systems
- data mining
- neural network
- data sets