Exact(16)
XBSF scoring function calculates the halogen bonding term C I···O interaction as follows.
In Vina, the hydrogen bonding term is based on d, where d is the overlap of van der Waals radii of interacting atoms.
Hydrogen bonding term equals 1 when d < −0.7 Å; 0, when d > 0 Å, and linearly interpolated in between these distances.
We modified the perturbed hard-sphere-chain (PHSC) equation-of-state by introducing Chapman's equation into the bonding term of the reference equation.
Our objective function is based on the hydrogen bonding term of the Boehm scoring function [14] which has been designed to correctly reflect protein-ligand interactions and is used in the FlexX [15] molecular molecular docking program.
In XBSF, to define the halogen bonding term, a similar approach was incorporated, however, due to the anisotropic charge on halogen, an angle term was included to account for the varying positive charge on the atom.
Similar(44)
The bond term τ bc is a function of the mechanical and geometrical properties of the stirrups, of the slip, of the concrete mechanical properties.
Bonds (intermediate term bonds) wiggle more than cash.
In Bond terms, it's kind of a miracle.
His union says some foreign drivers' bonded terms amount to modern slavery.
On August 7th their mayor, Kwame Kilpatrick, spent a night in jail for violating his bond terms in a perjury case.
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