Section:
New Results
SAM : Spherical Polar Fourier Assembly of Protein Complexes with Arbitrary Point Group Symmetry
Participants :
David W. Ritchie, Sergei Grudinin.
We presented a novel FFT-based ab inito docking algorithm called “SAM”
for building perfectly symmetrical models of protein complexes with
arbitrary point group symmetry.
The basic approach uses a novel and very fast 1D symmetry-constrained
spherical polar Fourier search to assemble cyclic systems from a given
protein monomer.
Structures with higher order (, , , and ) point group
symmetries may be built using a subsequent symmetry-constrained Fourier
domain search to assemble trimeric sub-units.
Our results show that the SAM algorithm can correctly assemble monomers
of up to around 500 residues to produce a near-native complex structure
with the given point group symmetry in 17 out of 18 test cases.
The SAM program may be downloaded for academic use at http://sam.loria.fr/.
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