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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.
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A Coupled Scanning and Optimization Scheme for Analyzing Molecular Interactions · Abstract and Figures.
We suggest that reliable docking results can be obtained for a broader class of problems by combining computational steps from different methods.
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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.
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 · These often utilize optimization engines exploring the roto-translational space of the binding partners, looking for the arrangements minimizing ...