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Coupled optimization in protein docking · Contents. RECOMB '99: Proceedings of the third annual international conference on Computational molecular biology.
Hybrid methods create improved algorithms from existing ones by mixing techniques in a way that maximizes advantages and minimizes disadvantages. Here, we ...
The method employs a low-resolution, rigid-body, Monte Carlo search followed by simultaneous optimization of backbone displacement and side-chain conformations.
The method employs a low-resolution, rigid-body, Monte Carlo search followed by simultaneous optimization of backbone displacement and side-chain conformations.
Missing: Coupled | Show results with:Coupled
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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 · Efficient Consideration of Coordinated Water Molecules Improves Computational Protein-Protein and Protein-Ligand Docking Discrimination.
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 ...
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 ...
Various global optimization methods have been employed in protein–protein docking. · Current docking methods can predict only moderate conformational changes.
Missing: Coupled | Show results with:Coupled
Here, we develop and benchmark RosettaDock 4.0, which efficiently samples large conformational ensembles of flexible proteins and docks them using a novel, six- ...