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To reveal the bonding patterns in the He2@fullerenes, Bader's 'atoms-in-molecules' (AIM) theory [36-38] [36-38]oked since it provides a mathematically elegant approach [37] to describe a bonding.
Single crystal X-ray diffraction analyses of bis-uracil conjugate (bis 1-methyluracilyl-5yl- 4-nitrobenzyl methane, 2) and tetra-uracil conjugate (1,3-bis 1-methyluracilyl-5yl- 4-nitrobenzyl 3) indicate presence of distinctly different hydrogen bis 1-methyluracilyl-5yl- 4-nitrobenzylframework.
Ionic interactions and hydrogen bonding patterns in the complexes of protein-protein interactions of those refined models were determined with the Protein Interaction Calculator (PIC) [36].
Sequence-dependent hydrogen bonding patterns in the DNA major groove modulate E vs Z geometrical isomerism of the formamide moiety of the AFB1 FAPY adduct.
The 2′-azido group supports the C3′- endo ribose conformation and shows distinct water-bridged hydrogen bonding patterns in the minor groove.
In our structure, we are able to provide additional information about the open-to-closed transition by observing specific hydrogen bonding patterns in the P helix backbone and comparing them with the patterns in the apo structure (5, 6).
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Overall, it appeared that changes in the hydrogen bonding pattern in the side loop of SFTI-FCQR Asn14 restored the frequency of the hydrogen bonds in the reactive loop to the level determined for SFTI-1.
Molecular dynamics simulations suggest that changes in the hydrogen bonding pattern in the polymerase active site of K70Q/Q151Mc RT may contribute to the observed changes in binding and incorporation of TFV-DP.
The three mec-4 alleles which are located in the palm (u342 (G228S), u242 ts) (G234E) and u209 (see7F), see Table 1) impose severe distortions in the geometry and hydrogen bonding pattern in the beta sheet due to stereochemical hindrance of the large sidechains.
Because the ligand binding environment is a crucial factor to consider in the design of synthetic ligands, a detailed analysis of the hydrogen bonding pattern in the binding site is of particular interest.
Chemical reactions involve changes in bonding patterns of molecules that is, changes in the relative positions of atoms in and among molecules, as well as shifts in the electrons that hold the atoms together in chemical bonds.
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