This bond or interaction, however, is not only found in crystals as described above but may also be observed in solution and, as such, it is typically not the only interaction a molecule is involved in. Examples are protein molecules which comprise a series of smaller amino acid molecules ...
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(1) the phosphor screen is kept in a flat plane while the laser (He–Ne) sweeps across the screen as it is reflected by a galvanometric mirror, and (2) for flexible phosphor screen, the screen is loaded on a cylinder that spins at 360 revolutions per minute, whereas the laser follows...
This is the syntax for those bonds: (protein_chain, residue_number, atom_name), (small_molecule_chain, atom_index), (new_chirality_atom_1, new_chirality_atom_2) Both the protein residue number and the atom_index are 1 indexed (as you would normally count, as opposed to 0 indexed ...
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It is shown that the C36 FF leads to better correlation with experimental data compared to the CHARMM22/CMAP FF and suggest using C36 in protein simulations. Although both CHARMM FFs contains the same nonbond parameters, our results show how the changes in the internal parameters associated with...
Recently, atom depth has been also considered as an additional structural descriptor to correlate protein structure with folding and functional properties. The distance between an atom and the nearest water molecule or the closest surface dot has been proposed as a measure of the atom depth, but,...
That pursuit promises to open new linguistic territory as well: A hydrogen atom weighs about 1 yoctogram--a thousandth of a zeptogram.--P.W. Lone protein molecule could tip this scale Any ultraviolet photons that escaped from the earliest galaxies would have been absorbed by a neutral ...
# NB: restype_3to1 differs from Bio.PDB.protein_letters_3to1 by being a simple # 1-to-1 mapping of 3 letter names to one letter names. The latter contains # many more, and less common, three letter names as keys and maps many of these # to the same one letter name (including...
When a fluorine atom is placed near the edge, the fluorine atom should be more subject to the inter-atomic potential as compared with the fluorine atom located in the interior region. Thus, it is easy to form an F2 dimer near the edge with a spin singlet. In the case of C24H12 this...