Sentence examples for mechanics force from inspiring English sources

In the combined QM/MM method part of the system, say the active site, is treated quantum mechanically whereas the remainder of the system is treated with a faster molecular mechanics force field.

The former is treated with a quantum mechanical model for the electrons, whereas the latter is approximated by a molecular mechanics force field.

Merck molecular mechanics force field.

These are not typically encoded into molecular mechanics force fields.

A new electrostatic model, designed for use in molecular mechanics force fields, is presented.

The consistent molecular mechanics force field is employed, and the minimized energy structure is obtained.

In analogy to atomistic-MD with an empirically defined molecular mechanics force-field with parameters optimized to reproduce experimental observations or quantum mechanical calculations, we can assign CG-MD force-field parameters to either reproduce properties observed from atomistic-MD or from a statistical analysis of known protein structures deposited in the PDB.

Catcher Jorge Posada said Mussina was not staying back, and those faulty mechanics forced his pitches to stray.

Different molecular mechanics force-field methods like MMFF94, UFF and Ghemical are available to evaluate the energy.

Quantum mechanics forces it to stop acting like an ordinary liquid, endowing it with such outlandish properties as a complete lack of viscosity.

The molecular mechanics forces are divided into short-range (bond, angle, torsion, and local non-bonded) and long-range components, with the long-range forces updated only intermittently.