intermolecular force

(redirected from Nonbonded interactions)

intermolecular force

[‚in·tər·mə′lek·yə·lər ′fōrs]
(physical chemistry)
The force between two molecules; it is that negative gradient of the potential energy between the interacting molecules, if energy is a function of the distance between the centers of the molecules.
References in periodicals archive ?
A 12 [Angstrom] cutoff distance was used to calculate short-range nonbonded interactions. The particle mesh Ewald (PME) [32] method was used to calculate long-range electrostatic interactions.
It revealed that nonbonded interactions are a significant driving force in biomolecular interactions and stability.
Recent studies suggest that covalent interactions are informative when combined with nonbonded interactions [33, 34].
Molecular mechanics (MM) force fields rely on the combination of Coulomb and Lennard-Jones interactions to describe all nonbonded interactions [18].
Figueroa-Villar, "Influence of nonbonded interactions in the kinetics of formation of chalcogenol esters from chalcogenoacetylenes," International Journal of Quantum Chemistry, vol.
Periodic boundary conditions were imposed with a 1.0 nm cutoff for nonbonded interactions. Long-range electrostatic corrections were modeled by the particle mesh Ewald technique [27, 28].
The third term containing [q.sub.i, k] represents the contribution to potential energy due to nonbonded interactions. Primed quantities are introduced as internal tensions.
This new server reduces processing time of molecular dynamics (*1) simulation with a dedicated computation board "MD Engine(R)"(*2) that processes time-consuming computation, nonbonded interactions at high speed.
Dedicated computation board for high-speed computations of nonbonded interactions
Simulation time has been dramatically reduced by an embedded "MD Engine(R)," a dedicated computation board for high-speed computation of nonbonded interactions such as coulomb force and intermolecular force that account for more than 99% in many cases of molecular dynamics simulation.
H chain of motavizumab formed three hydrogen bonds and nonbonded interaction whereas no hydrogen bond was found when motavizumab interacted with L chain of fusion protein (Figure 5).