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Interatomic distances, between nonbonded atoms, table

Using a computer and matrix multiplication techniques the first and second peptide units can be rotated through all possible combinations of values of phi and psi. For each possible set of these dihedral angles, the distances between all pairs of nonbonded atoms can be compared using a set of minimum interatomic contact distances (Table 2.3) if the distance between any set of atoms is smaller than the minimum contact distance then that conformation is not allowed. This boils down to the fact that two atoms cannot be closer than the sum of the van der Waals radii of each atom or electron repulsion occurs. Therefore, by determining the values of phi and... [Pg.38]


See other pages where Interatomic distances, between nonbonded atoms, table is mentioned: [Pg.53]    [Pg.648]    [Pg.53]    [Pg.607]    [Pg.19]    [Pg.40]    [Pg.223]    [Pg.607]    [Pg.19]    [Pg.1074]    [Pg.340]   
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Atom distances

Atomic distances

Distance between

Interatomic

Interatomic distances

Interatomic distances, between

Nonbonded atoms

Nonbonded distances

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