Description
The aim of this project is the corroboration of nuclear magnetic resonance (NMR) data with quantum chemistry simulations in order to better describe the structure and dynamics of biomolecules such as metabolites and proteins. Molecular dynamics (MD) simulations will be used to test the validity of certain protein structures and intrinsic motions inferred experimentally. For the case of metabolites, quantum chemistry simulations can be used to directly predict the NMR spectrum of small biomolecules that can help the assignment of each species in a mixture.
Acceptable Use Policy
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This Acceptable Use Policy applies to all members of vo.qc-md.eli-np.eu Virtual Organisation,
hereafter referred to as the vo.qc-md.eli-np.eu, with reference to use of the EGI Infrastructure.
The EGI Infrastructure owns and gives authority to this policy.
Goal and description of the vo.qc-md.eli-np.eu VO
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Members and Managers of the vo.qc-md.eli-np.eu VO agree to be bound by the Acceptable Usage Rules, vo.qc-md.eli-np.eu Security Policy and other relevant EGI Policies, and to use the Infrastructure only in the furtherance of the stated goal of the vo.qc-md.eli-np.eu VO.