and (2) what kind of information is obtained?. Most of the differences between inorganic, organic, and protein crystals lies in the fact that ionic forces (found mostly in inorganic structures) depend upon interatomic distances but not on angle. In contrast, covalent bonds (such as those ...
These include, inter alia, the extent of covalent and ionic bonding between the metal cation and the coordinating anions forming the inorganic perovskite cage, the M and B site strains and their sizes, the nature of the organic or inorganic cation, the displacement of the B site cation from ...
We have also undertaken a parallel study of 24 acrylamide-based covalent reactive groups (CRGs) and have likewise included these species in a global analysis for all 89 small molecule drug candidates. We demonstrate that, with the aid of supervised machine learning (ML), the full range of DMS...
The gelation of β-LG involves different types of interactions such as disulfide covalent links, hydrogen bonds, and hydrophobic interactions, which depend on pH, ionic strength, and protein concentration (Kinsella and Whitehead, 1989; Ziegler and Foegeding, 1990; Aguilera, 1995; Petit et al., 20...
temperature, pH, and ionic strength, resulting in the continuous presence of transitional intermediates (37). However, a favored conformation governed by environmental conditions may represent the bulk of the protein population. The analysis of protein CSD patterns in ESI spectra is generally considered...
(PAW) method79,80was utilized for the relaxation of ionic positions and unit-cell parameters. The tolerance for total energy convergence was set to 10−5eV atom−1rather than the default setting. The average and maximum intermolecular forces on ions after relaxation were below 0.005 and 0....
The NBO and DOS analyses have shown that the stability of the TMMg30, clusters is governed by the charge transfer processes as well as the nature of interaction of the atomic orbitals. These studies also confirm that the neutral doped clusters exhibit covalent-like bonding while ionic type ...
Most of the differences between inorganic, organic, and protein crystals lies in the fact that ionic forces (found mostly in inorganic structures) depend upon interatomic distances but not on angle. In contrast, covalent bonds (such as those which predominate in organic and protein compounds) ...
which effects temporary or permanent immobilization, fixation or adhesion of the probe nucleotide to a site or in a region of the carrier; for example, by the formation of covalent, ionic, metallo-organic bonds, binding based on van der Waal's forces, or enzyme substrate interactions or ...
As used herein, the term “hybridization” generally refers to the process of annealing complementary nucleic acid strands by forming hydrogen bonds between nucleotide bases on the complementary nucleic acid strands. Hybridization, and the strength of the association between the nucleic acids, is impacte...