„Extending the power of X-ray analysis of macromolecular crystal data”
Three positions for PhD students are available.
Department of Chemistry, University of Warsaw, Poland
In the framework of the PARENT-BRIDGE programme of Foundation for Polish Science, cofinanced from European Union, Regional Development Fund, three PhD positions are available at the Department of Chemistry, University of Warsaw, in the group of Paulina Dominiak. The project regards refinement of high-resolution X-ray data of macromolecules with a realistic atomic scattering model based on the detailed electron distribution (aspherical atom scattering factors). Aspherical atom scattering factors are calculated from aspherical atom densities using Hansen-Coppens formalism. Such densities are comparable for atoms with similar chemical environment and have been stored in the databases of aspherical atoms. The UBDB databank which will be applied within the project, contains atom types occurring in light-atom proteins and nucleic acids. Introduction of the aspherical atom scattering factors, which significantly deviate from the conventional spherical atom model to refinement of macromolecules, will lead to more accurate structural parameters and better estimation of the reflection phases.
More information on the position and project: http://crystal.chem.uw.edu.pl
Application deadline: 23.09.2011 or until a suitable PhD student is found.
Fellowship of 3000 PLN/month (not subject to income tax plus 500 PLN to cover social and health insurance) is guaranteed up to 2.5 years.
The fellowship must start in November 2011.
Tasks:
1. Extension of the aspherical atom databank UBDB, optimization of atom type definition algorithm, software optimization.
2. Attempt to include the effect of electronic polarization due to the electric field of neighboring molecules (to simulate the crystal field effect) into the databank.
3. Databank applicability tests based on high-resolution X-ray diffraction data collected during the course of the project, and therefore based on the electron density distribution present in small biomolecules .
4. Large-scale test on available high-resolution macromolecular (protein and nucleic acid) X-ray data. The aspherical atom scattering factors derived from the UBDB databank will be used in the refinement to verify to what extent such a scattering model is better than the conventional one, based on spherical atomic scattering factors.
Requirements:
1. Master degree in chemistry or related fields.
2. Participation in PhD studies (at the time of starting the project).
3. Good background in crystallography or computational chemistry.
4. Programming skills (not mandatory but beneficial).
5. Good level of spoken and written English.
The application should contain the following documents/information:
1. Motivation letter.
2. Master degree diploma.
3. Transcript of academic records.
4. CV (including: personal and contact details; short description of candidate’s research experience; scholarships and other national or foreign traineeships; honors, prizes and awards; scientific publications; poster and oral presentations at scientific conferences).
5. Two recommendation letters.
Candidate’s offer should include the following statement: “In accordance with the personal data protection act from 29th August 1997, I hereby agree to process and to store my personal data by the Institution for recruitment purposes”.
Applications should be sent to dr Paulina Dominiak: pdominpomost[ at ]gmail.com
Top candidates will be invited for the interview (in English).
We may seek to contact the best candidates only.
Link:
„Extending the power of X-ray analysis of macromolecular crystal data”
Three positions for PhD students are available.
Department of Chemistry, University of Warsaw, Poland
In the framework of the PARENT-BRIDGE programme of Foundation for Polish Science, cofinanced from European Union, Regional Development Fund, three PhD positions are available at the Department of Chemistry, University of Warsaw, in the group of Paulina Dominiak. The project regards refinement of high-resolution X-ray data of macromolecules with a realistic atomic scattering model based on the detailed electron distribution (aspherical atom scattering factors). Aspherical atom scattering factors are calculated from aspherical atom densities using Hansen-Coppens formalism. Such densities are comparable for atoms with similar chemical environment and have been stored in the databases of aspherical atoms. The UBDB databank which will be applied within the project, contains atom types occurring in light-atom proteins and nucleic acids. Introduction of the aspherical atom scattering factors, which significantly deviate from the conventional spherical atom model to refinement of macromolecules, will lead to more accurate structural parameters and better estimation of the reflection phases.
More information on the position and project: http://crystal.chem.uw.edu.pl<
Country: Poland
