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Spherical polar Fourier assembly of protein complexes with arbitrary point group symmetry
Abstract : A novel fast Fourier transform-based ab inito docking algorithm called SAM is presented, for building perfectly symmetrical models of protein complexes with arbitrary point group symmetry. The basic approach uses a novel and very fast one-dimensional symmetry-constrained spherical polar Fourier search to assemble cyclic Cn systems from a given protein monomer. Structures with higher-order (Dn, T, O and I) point group symmetries may be built using a subsequent symmetry-constrained Fourier domain search to assemble trimeric sub-units. The results reported here 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/.
Cited literature [19 references]
https://hal.inria.fr/hal-01261402
Contributor : Nano-D Equipe <>
Submitted on : Monday, February 1, 2016 - 2:21:55 PM
Last modification on : Thursday, July 9, 2020 - 9:44:41 AM
Document(s) archivé(s) le : Friday, November 11, 2016 - 11:53:32 PM
Contributor : Nano-D Equipe <>
Submitted on : Monday, February 1, 2016 - 2:21:55 PM
Last modification on : Thursday, July 9, 2020 - 9:44:41 AM
Document(s) archivé(s) le : Friday, November 11, 2016 - 11:53:32 PM
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ritchie_grudinin_jac_2016.pdf
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