Research/Computer Associate

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Research/Computer Associate

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NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

Torsion angles from chemical shifts:

Preditor

TALOS

Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

PECAN

Flexibility from chemical shifts:

RCI

Interactions from chemical shifts:

HADDOCK

Chemical shifts re-referencing:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

Quality Control Check

NMR spectrum prediction:

FANDAS

MestReS

V-NMR

Flexibility from structure:

Backbone S2

Methyl S2

B-factor

Molecular dynamics:

Gromacs

Amber

Antechamber

Chemical shifts prediction:

From structure:

Shiftx2

Sparta+

Camshift

CH3shift- Methyl

ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

From sequence:

Shifty

Camcoil

Poulsen_rc_CS

Disordered proteins:

MAXOCC

Format conversion & validation:

CCPN

From NMR-STAR 3.1

Validate NMR-STAR 3.1

NMR sample preparation:

Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

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07-05-2011, 06:01 PM

nmrlearner

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Research/Computer Associate

Research/Computer Associate

Research/Computer Associate
Department of Biochemistry
Vacancy Reference No: PH08371 Salary: £27,428-£35,788

Limit of tenure applies*

Applications are invited for a postdoctoral research associate, funded by the Collaborative Computing Project for NMR (CCPN), to develop an interface for small molecule screening as an additional module to our CcpNmr Analysis Software. This module would include a graphical user interface to control the workflow for fragment-based screening using NMR and software components for the efficient analysis and screening of NMR spectra for the identification and characterisation of small molecule ligands.

The successful candidate should have a PhD in an appropriate field, be familiar with either NMR spectroscopy or small molecule screening, and have a good working knowledge of Python programming as well as demonstrated experience in the development of software applications. The applicant must be able to work as part of the existing team, and needs to have the initiative and drive to make sure that their part of the project is completed successfully. The project would be carried out in collaboration with our industrial partners and a willingness to travel and to work with our collaborating partners is also important.

Applications should consist of a completed CHRIS/6 form (which can be downloaded from http://www.admin.cam.ac.uk/offices/hr/forms/chris6/) with a CV and the names and addresses of three referees. This should be returned, quoting the reference number, via e-mail to jobs@bioc.cam.ac.uk OR by post to the Personnel Secretary, Department of Biochemistry, Building O, Downing Site, Cambridge CB2 1QW UK.

* Limit of tenure: 1 year.

Closing date: 15 July 2011.

The University values diversity and is committed to equality of opportunity.

The University has a responsibility to ensure that all employees are eligible to live and work in the UK.

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