DFTB3's explicit treatment of AO overlap affords a better description of intramolecular interactions such as ring puckers, as illustrated in Figure 3.
An increased understanding of tolerance to pathogen infection could lead to more efficient treatments for infectious diseases and a better description of host-pathogen interactions.
The possible structure of a cellulose model is fully optimized at PM6/6-31G PM6/6-31Gof theory at the ground state and then used for a better description of the weak interactions resulevel frof theoryysisorption of atginatheChitosan complex on the surface of the viscopearls.
In the future, the Stewart model may be improved through a better description of the electrostatic interaction of ions and polyelectroles (Poisson Boltzman interactions).
New data are reported using a richer basis set for both zeolite and H2, which ensures a better description of the intermolecular interaction components.
The addition was proposed because it allowed for a better description of the weak interaction (the mechanism that allows quarks to decay), equalized the number of known quarks with the number of known leptons, and implied a mass formula that correctly reproduced the masses of the known mesons.
Finally, to get a better description of the changes in nonbonded interactions between the different conformations (in particular intersubunit and interdomain interactions), the side chains of each of the six 14-mer models (which mostly were kept rigid within rigid bodies during the refinement) were energy minimized.
By representing interactions at the atomic-level and including measures of interaction strength, better descriptions of protein-ligand interactions and a more specific analysis of virtual screening was achieved.
The notion of cellular process as an emergent property of the collection of individual interactions may in fact be a better description of life.
In the successful long-range interaction model of Wolf, Geisel, Kaschube and coworkers, Gaussian fields turn out to be a better description of the initial stage of cortical map development than they are of the mature stage.
