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All docking programs follow the same general scheme consisting of two main steps: first, the program generates a large set of poses by exploring multiple conformations of the ligand into the binding site, with a rough evaluation to reject the most unrealistic ones, and second, the retained poses are more finely evaluated and ranked using a scoring function.
The restriction to 1-Lipschitz contestous test functions (varphi ) which are bounded in addition enables us to preserve the metric properties while generalizing the distance in two directions: First we can consider signed Radon measures (instead of positive ones) and second, the two compared Radon measures need not have the same total variations (as probability measures do).
We investigate higher-order representative features, which include the principal components other than the first ones and second order terms (quadratics and interactions).
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Building on existing eigengene-based studies, we investigate the effects of higher-order representative features, which include principal components other than the first ones and second-order terms (quadratics and interactions).
In the banking industry consolidation Bank One and First Union have been busy buyers.
The Austrians have one victory, one second and one third.
Robertson fanned three batters in one and one-third innings.
He covered one and one-sixteenth miles in 1 41.23.
You should have about one and one-third cups.
First and second, one out.
He allowed only five hits over seven and one-third innings and struck out four.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com