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The transformed ligands are then fragmented to more basic substructures, such as individual rings and functional groups, which are able to form non-covalent interactions with the target.
(c) We parsed the output of MFOLD into a relational database containing all the information about the secondary structures in which the various sites reside (the basic substructures are given in fig. 1).
In both compounds a basic aromatic ring substructure is marked as important for activity by the heat map coloring method (Figure 5).
We call these substructures "basic active structures" or BASs.
The basic step in the substructure approach based on discretization of the soil medium for the soil structure interaction problems is to determine the impedance functions which are defined as the complex dynamic-stiffness coefficients of the soil-footing system are used in the analysis of foundations vibrations.
In the present paper we outline the basic theory of assembling substructures for which the dynamics are described as Impulse Response Functions.
A model of substructures was constructed from the basic units of single-layer spatial grid structures.
Then, the paper presents the basic joint modelling and its calibration on substructures tested experimentally.
First, the basic principles of the whole analysis method and substructure analysis method are introduced briefly, and the problem of selection master degrees of freedom (DOFs) reasonably is discussed.
Damping attenuation at the source is the basic measure and the elastic support in railway substructures absorbs the energy transferred due to ground vibration propagation.
We present two approaches to extract the binding relevant information: first we use visual inspection of a known ligand as well as literature review to identify binding relevant substructures, second we test a relatively basic data mining approach.
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