Abstract
The past decade has brought major advances in the quality and variety of methods for computerized drug design and molecular docking, making the area ripe for the implementation of hybrid algorithms. Hybrid methods create improved algorithms from existing ones by mixing techniques in a way that maximizes advantages and minimizes disadvantages. Here, we outline a hybrid method for molecular docking which couples the rapid-scanning algorithm DOT with the global optimization algorithm CGU.
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Mitchell, J.C., Phillips, A.T., Ben Rosen, J., Ten Eyck, L.F. (2000). A Coupled Scanning and Optimization Scheme for Analyzing Molecular Interactions. In: Floudas, C.A., Pardalos, P.M. (eds) Optimization in Computational Chemistry and Molecular Biology. Nonconvex Optimization and Its Applications, vol 40. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-3218-4_11
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DOI: https://doi.org/10.1007/978-1-4757-3218-4_11
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