Otwinowski Lab

- Research


Integrated software (collaboration: Minor Lab, U.Va.) / Links: HKL

Crystallographic data integration
Data scaling and merging assessment

Phasing / Links: MLPHARE at CCP4

Model building

- Applications of Maximum Entropy principle to modeling torsion angle probability distribution in proteins
- Stereochemical Rules for Connecting Disjoint Protein Fragments
- Bayesian statistical studies of the Ramachandran distribution

- New approach to protein model building
- Stereochemical rules for connecting protein fragments

Symmetric Real Spherical Harmonics

- An efficient routine for computing symmetric real spherical harmonics for high orders
of expansion

Crystallographic Fast Fourier Transform

We have developed a new approach to crystallographic Fast Fourier Transform (FFT). It resulted in algorithms for all 230 space groups. The presented algorithm allows to reduce both computation time and memory usage by a factor approximately equal to the number
of symmetry operators in the crystallographic group. The solution is ultimate: it has reached the theoretical limit of computational complexity and it is highly efficient for current computer architecture. We are currently preparing the first release of the KRFFT software library.
(click here for more details)

The algorithms have been described in the following papers:

- p3 symmetry
- One-step symmetry reduction
- Centered lattices
- FFT-asymmetric units in the reciprocal space
- Recursive symmetry reduction

Structural genomics



Transcriptional regulation of the cell cycle

- High-resolution cell cycle timing

- Evolutionary conservation of TF Binding sites

Timeline of peaks of expression of cell-cycle regulated genes

Whole-genome timecourse data analysis and online resources

- Saccharomyces Cerevisiae Periodic Transcription Server
- Yeast Metabolic Cycle
Chromatin and chromosome structure
Past Projects

Crystal viewing robot in development stage:


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