Sentence examples for mechanical force field from inspiring English sources
The complete vibrational studies of the compound were analyzed by FT-IR, FT-Raman and UV visible spectra combined with Normal Coordinate Analysis (NCA) following the scaled quantum mechanical force field methodology and density functional theory (DFT).
In tandem with non-bonded interactions, these torsional potentials comprise one of the most dominant factors in determining the configurational preferences of each molecular mechanical force field.
In this spirit, this approach is called a quantum mechanical force field (QMFF).
So within the limit of accuracy of the molecular mechanical force field, the structures get refined during the equilibration of the system.
In this work, we present advances in the development of a quantum mechanical force field (QMFF) suitable for application to biological macromolecules and condensed phase simulations.
As a quantum mechanical force field, these energy terms are approximated by empirical functions in the spirit of conventional molecular mechanics.
However, this neglects the processes in the developmental origins of tissues and organs, between 8 and 28 weeks of early life, which are driven by the cellular harnessing of physical and mechanical force fields.
In this review, we explain the lessons that can be learned from the nature of physical and mechanical force fields exerted in cell group dynamic operations during embryogenesis and how these form simple anatomic tissue structures such as, cell sheets and cell condensates.
Parameters in force field-based scoring functions are derived from molecular mechanical force fields used in MD simulations, including contributions from vdW interactions, electrostatic interactions, and bond stretching/bending/torsional potentials.
Potential energy surfaces produced by this approach are called quantum mechanical force fields (QMFFs).
Molecular mechanical force fields have been successfully used to model condensed-phase and biological systems for a half century.
