Zobrazeno 1 - 4
of 4
pro vyhledávání: '"S. C. Lovell"'
Publikováno v:
Proteins. 40(3)
All published rotamer libraries contain some rotamers that exhibit impossible internal atomic overlaps if built in ideal geometry with all hydrogen atoms. Removal of uncertain residues (mainly those with B-factors/=40 or van der Waals overlaps/=0.4 A
Autor:
J M, Word, S C, Lovell, T H, LaBean, H C, Taylor, M E, Zalis, B K, Presley, J S, Richardson, D C, Richardson
Publikováno v:
Journal of molecular biology. 285(4)
The technique of small-probe contact dot surfaces is described as a method for calculating and displaying the detailed atomic contacts inside or between molecules. It allows one both to measure and to visualize directly the goodness-of-fit of packing
Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation
Publikováno v:
Journal of molecular biology. 285(4)
Small-probe contact dot surface analysis, with all explicit hydrogen atoms added and their van der Waals contacts included, was used to choose between the two possible orientations for each of 1554 asparagine (Asn) and glutamine (Gln) side-chain amid