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Additionally, it is easy to change their properties by modifying the side chains.
Using the crystal structure of H5N1 NA (PDB ID: 2hty) as the starting point, in a set of 54 inhibitors previously proposed by modifying the side chains of oseltamivir, 4 inhibitors were identified using two different computational strategies (ArgusLab4.0.1, FlexX-E3.0.1) both to lower the binding free energy (BFE) of oseltamivir and to have partially acceptable conformations.
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Using QSAR model no 1 (best model), a number of s-triazine compounds were designed by modifying the attached side chains to the carbon atoms of the triazine ring of the parent compound (Table 1).
By modifying the polyphosphazene side chains and molecular weight, the biodegradation rate of polymers can be controlled, making this a promising platform for drug and contrast agent delivery.
To introduce DE in the right-hand side of the Einstein equation in the framework of general relativity (recent reviews include [14, 15, 16, 17, 18]); To introduce 'modified theory of gravity' by modifying the left-hand side of the Einstein equation (recent reviews include [19, 20, 21]).
They are (1) To introduce DE in the right-hand side of the Einstein equation in the framework of general relativity (recent reviews include [14, 15, 16, 17, 18]); (2) To introduce 'modified theory of gravity' by modifying the left-hand side of the Einstein equation (recent reviews include [19, 20, 21]). .
We also show the possibility that a hemoprotein of one functionality can be engineered to that with another functionality by modifying the heme distal side elements, on the basis of molecular-based mechanistic and structural data on these peroxide-utilizing enzymes.
In Arabidopsis, MUCILAGE-MODIFIED4 (MUM4) gene encodes Rhamnose Synthase2, an enzyme that catalyzes the synthesis of RG I [ 55], whereas MUM2 encodes a beta-galactosidase that enables the hydration properties of the mucilage by modifying the RG I side chains [ 56].
On the basis of our previously identified tetrahydrocarbazole antifungal leads, the structure activity relationship was further explored by modifying the scaffold and the side chains.
In this study, we adopted OSCAR to a rigid rotamer model by modifying the distance-dependent component for fast side-chain modeling.
It is proposed that methylated NHA analogues produce this effect by modifying the hydrogen-bonding network in the distal side of the active site.
More suggestions(13)
by modifying the surface
by modifying the procedure
by modifying the position
by modifying the shape
by modifying the structure
by modifying the model
by modifying the expression
by modifying the algorithm
by modifying the design
by modifying the matrix
by modifying the amount
by modifying the sequence
by modifying the function
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