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NMR processing:
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Side-chains:
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NOEs:
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Structure from NMR restraints:
Ab initio:
GeNMR
Cyana
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Fragment-based:
BMRB CS-Rosetta
Rosetta-NMR (Robetta)
Template-based:
GeNMR
I-TASSER
Refinement:
Amber
Structure from chemical shifts:
Fragment-based:
WeNMR CS-Rosetta
BMRB CS-Rosetta
Homology-based:
CS23D
Simshift
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:
Shiftcor
UNIO Shiftinspector
LACS
CheckShift
RefDB
NMR model quality:
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RPF scores
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Chemical shifts:
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CheShift2
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iCing
RDCs:
DC
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Pseudocontact shifts:
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Protein geomtery:
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PROSESS
What-If
iCing
PSVS
MolProbity
SAVES2 or SAVES4
Vadar
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ProQ
MetaMQAPII
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STAN
Ramachandran Plot
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ERRAT
Verify_3D
Harmony
Quality Control Check
NMR spectrum prediction:
FANDAS
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V-NMR
Flexibility from structure:
Backbone S2
Methyl S2
B-factor
Molecular dynamics:
Gromacs
Amber
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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:
camLILA
ccSOL
Camfold
camGroEL
Zyggregator
Isotope labeling:
UPLABEL
Solid-state NMR:
sedNMR


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Old 08-15-2015, 01:41 AM
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Default ORISE Postdoc Fellow at Food and Drug Administration, Silver Spring, Maryland

Position Description: Source Code DPA 1504. The Food and Drug Administration, the Division of Pharmaceutical Analysis is recruiting a post-doctoral fellow for a one year temporary position at the White Oak facility in Silver Spring, Maryland laboratory. The initial appointment is for one year, but may be renewed upon recommendation of FDA contingent on the availability of funds.
Under the guidance of a mentor, the selected fellow will conduct research on generic drugs using nuclear magnetic resonance (NMR) methods. This research will aim to develop validated methods to assess the identity, purity and content of complex drugs in comparison to the reference listed drug. The participant will conduct analysis and experimentation in the laboratory utilizing prescribed procedures (protocols, standard operating procedures, etc.), and will document and report data in a timely manner according to regulatory guidelines. S/he will perform much of their research on a newly installed 850 MHz Bruker spectrometer equipped with a cold probe in the FDA White Oak Campus NMR Facility.
  • A Doctoral degree in analytical chemistry, natural product chemistry, pharmaceutical science, biopharmaceutics, biochemistry or biophysics, received within the last five years.
  • Experience in the field of chemical composition analysis of small molecule mixture, natural product, proteins or sugar/glycan using NMR is necessary.
  • Computer programming, multivariate statistical analysis and scientific writing skills are highly desirable.
  • Salary is commensurate with education and experience. US citizenship, green card, EAD, OPT or CPT is required. An H1 visa cannot be sponsored for this position.
Submit CV to Kimberly Brammeier with cover letter by Email. Please indicate Source Code DPA1504 in the Subject line. Email by Oct 30, 2015 to: Kimberly.Brammeier@fda.hhs.gov
Employer Name: The Research Participation Program for FDA is administered by the Oak Ridge Institute for Science and Education (ORISE).
Position Location: Silver Spring, Maryland 20993
Application Deadline Date: Oct. 30, 2015
Disclaimers: The appointment is full-time at FDA in the Silver Spring, Maryland. Participants do not become employees of FDA or the program administrator, and there are no fringe benefits paid. The participant will receive a monthly stipend depending on educational level and experience. Proof of insurance must be provided to participate in this program.
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