da Cruz AWanner ECardoso RTakahashi R(2011)Using convex quadratic approximation as a local search operator in evolutionary multiobjective algorithms2011 ...
Gabb, H.A., Jackson, R.M. and Sternberg, M.J. (1997), “Modeling protein docking using shape complementarity, electrostatics and biochemical information,” ...
Protein–protein docking algorithms provide a means to elucidate structural details for presently unknown complexes. Here, we present and evaluate a new ...
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Protein-protein docking with simultaneous optimization of rigid-body displacement and side-chain conformations. J Mol Biol. 2003;331:281–299. doi: 10.1016 ...
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This figure shows the x, y and z coordinates of DOT's favorable configurations plotted against their energy values. The angular variables of the six-dimensional ...
We describe here a new multi-scale protein–protein docking methodology, LightDock, capable of accommodating conformational flexibility and a variety of scoring ...
Feb 12, 2021 · Accurate ligand pose prediction through molecular docking is of great importance in drug discovery as it provides detailed information about ...
This chapter presents a docking problem between a receptor and a ligand in the framework of combinatorial optimization and is an effort to formalize the problem ...
The underestimation of data points by a convex quadratic function is a useful tool for approximating the location of the global minima of potential energy ...
Apr 25, 2019 · To tackle protein-protein docking, other sam- pling methods are typically exploited instead of relying on MD alone. These often utilize ...