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a) Entries which made up the training sets for each of the MM and QM methods used to estimate the free energy of binding; b) the reference PDB structure used in the modelling the protein-ligand complex where an experimentally determined X-ray structure was not available.
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a) indicates an entry which was used to train the PLS QSAR model.
In order to create a blog, one must compose content for an entry, which may include text, hyperlinks, graphics, audio, or video, publish the content online using a blogging application, and alert subscribers that new content is posted.
Police files included an entry which read: "Landline attributed to David Dillon for the period 14/11/2011 to 13/11/2012.
Now & then the diary-keeping authors fail to realize that an entry which holds true for one day may be invalidated in the days that follow.
And the track also reserves an entry which stores 3D point coordinate.
In Figure 2, the triplet "C1y-C1y-O1a" is shown as an example of TRIPLET entries, which represents a larger substructure that contains a secondary hydroxyl group on a cyclic structure.
A dataset contains data entries, which are chemical compounds, as well as their feature values.
For downloading specific entries, it is possible to include "Add to selection" links and compile a subset of selected entries, which will be available for download as "Selected entries".
However, a practical implementation of a phase coded aperture in an X-ray application is not feasible, because it is computationally modeled as a matrix with complex entries which requires changing the phase of the diffracted beams.
In Figure 2, the substructure labeled as "C1y-O1a" ishownwn as an example of a BOND entry, which represents a secondary hydroxyl group on a cyclic structure.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com