- In chemistry,
rotamers are
chemical species that
differ from one
another primarily due to
rotations about one or more
single bonds.
Various arrangements...
- the dead-end
elimination algorithm does not
prune any more
rotamers, then
either rotamers have to be
merged or
another search algorithm must be used to...
- backbone-dependent
rotamer library provides the frequencies, mean
dihedral angles, and
standard deviations of the
discrete conformations (known as
rotamers) of the...
-
barrier to
rotation that is high
enough to
allow for
isolation of
individual rotamers. They
occur naturally and are of
occasional importance in pharmaceutical...
-
known as "
rotamers." The
methods attempt to
identify the set of
rotamers that
minimize the model's
overall energy.
These methods use
rotamer libraries...
-
exists as two
rotamers that can be
distinguished by NMR spectroscopy. The two prin****l
resonance structures for one of
these rotamers is shown: This...
- DEE
description included criteria for the
elimination of
single rotamers and of
rotamer pairs,
although this can be expanded. In the
following discussion...
- a
uniform probability distribution over the
rotamers—that is, if
there are p {\displaystyle p}
rotamers at the k t h {\displaystyle kth}
position in...
- val, thr, etc.)
likely to have
wrong rotamers. 2.0 - 2.5 As 2.5 - 3.0, but
number of
sidechains in
wrong rotamer is
considerably less. Many
small errors...
- pentamethylmolybdenum, Mo(CH3)5,
showing 4-fold
disorder of one
methyl group. One of four
rotamers of Mo(CH3)5.
Beatrice Roessler; Sven Kleinhenza;
Konrad Seppelt (2000)...
