Explore the words cloud of the metabolicomp project. It provides you a very rough idea of what is the project "metabolicomp" about.
The following table provides information about the project.
THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD
|Coordinator Country||United Kingdom [UK]|
|Total cost||183˙454 €|
|EC max contribution||183˙454 € (100%)|
1. H2020-EU.1.3.2. (Nurturing excellence by means of cross-border and cross-sector mobility)
|Duration (year-month-day)||from 2017-06-21 to 2019-06-20|
Take a look of project's partnership.
|1||THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD||UK (OXFORD)||coordinator||183˙454.00|
Cytochrome P450 enzymes monitor the metabolism of many drugs and small-molecules, as well as selectively catalyze hydrocarbon substrates for application in biotechnology. Drug-drug interactions are critical to the management of safe and effective pharmaceutical treatments. Thus, it is important to better understand the biological functions and activities of P450 enzymes not only to maximize their clinical significance but also to develop broader application in other fields, such as biofuel. There has been significant investment in computational and theoretical studies of P450 enzymes; however, there remains a need for further dynamical calculations to better explore the involvement of the enzyme active site in competing pathways leading to various products. This project aims to determine the role of P450 enzyme in alcohol and alkene formations, compare and contrast heme and non-heme Fe-containing active sites, and model the effect of enzyme environment, using quantum mechanical calculations and inherent dynamics via quasi-classical simulation. The results from this study will help advance the field of computational modeling and its application in biologically important systems.
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The information about "METABOLICOMP" are provided by the European Opendata Portal: CORDIS opendata.
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