Protein–ligand docking using FFT based sampling: D3R case study
نویسندگان
چکیده
منابع مشابه
PIPER: an FFT-based protein docking program with pairwise potentials.
The Fast Fourier Transform (FFT) correlation approach to protein-protein docking can evaluate the energies of billions of docked conformations on a grid if the energy is described in the form of a correlation function. Here, this restriction is removed, and the approach is efficiently used with pairwise interaction potentials that substantially improve the docking results. The basic idea is app...
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ژورنال
عنوان ژورنال: Journal of Computer-Aided Molecular Design
سال: 2017
ISSN: 0920-654X,1573-4951
DOI: 10.1007/s10822-017-0069-7