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pro vyhledávání: '"J M, Word"'
Publikováno v:
Antimicrobial agents and chemotherapy. 53(3)
The CCR100136 (EPIC) study evaluated the antiviral activity of the novel CCR5 entry inhibitor aplaviroc in combination with lopinavir-ritonavir in drug-naïve human immunodeficiency virus type 1-infected subjects. Although the trial was stopped prem
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
Publikováno v:
Chemischer Informationsdienst. 12