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VO Id Card : vo.qc-md.eli-np.eu   Update

  • 1 General Information
  • 2 Aknowledgement statement
  • 3 Resources

General information

Name vo.qc-md.eli-np.eu
Status Production
Validation date 2022-08-08
Last change 2022-08-08
Discipline
  • Natural Sciences
    • Biological sciences
      • Biophysics global
    • Chemical sciences
      • Computational chemistry global
      • Physical chemistry global
Enrollment Url https://aai.egi.eu/registry/co_petitions/start/coef:529
Homepage Url https://www.eli-np.ro/biophysics_lab.php
Support Procedure Url

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

Text 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
---------------------------------------------------------------------

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.

Acknowledgments Statement

Grant Id 101017567
Scientific publications URL
Suggested This work benefited from services provided by the [VO] Virtual Organisation, supported by the national resource providers of the EGI Federation

Resources

Max used physical non-swap i386 memory size
Max used physical non-swap x86_64 memory size
Max size of scratch space used by jobs
Max time of job execution
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number cores
min number cores :
pref number cores :
max number cores :
number of ram
min number ram :
pref number ram :
max number ram :
scratch space values
min scratch space values :
pref scratch space values :
max scratch space values :

Cloud Resources

CPU Core
VM Ram
Storage Size

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