First, an all-atom flexible model of the peptide with neutral N- and C-terminal groups was docked into a grid potential representation of the MHC peptide-binding cleft.
d f, Electrostatic surface potential representation of one representative model per cluster: P. luminescens TcdB2 (d), Photorhabdus temperata TcaC (e) and Burkholderia pseudomallei TcB (f).
Right: surface electrostatic potential representation of the nucleotide binding pocket.
(G) Surface electrostatic potential representation of AcpM (PDB code 1KLP) without showing the C-terminal tail.
Electrostatic surface potential representation of the binding pocket with the AEBP2379 390 peptide (shown in yellow stick model) (upward) and a simulated annealing omit map (blue) contoured at 1.0σ shows the electron density for the AEBP2379 390 peptide bound to RBBP4 (downward).
(I) Surface electrostatic potential representation of the view shown in panel H. Location of positively charged amino acids contributed by HadA or HadB as well as entrance of fatty acid binding channel are marked.
To test the potential representation of genes in the Hirudo transcriptome database that might be involved in nervous system structure, function or development, we aligned six-frame translations of the ~31,000 unique transcripts (assembled sequences + singletons) against the Gene Ontology data in all relevant categories.
Davey noted that "Bond's gizmos follow the zeitgeist more closely than any other ... nuance in the films" as they moved from the potential representations of the future in the early films, through to the brand-name obsessions of the later films.
Several potential representations of injury severity were compared using Nagelkerke's R. The ISS as a continuous variable reached R = 0.257 while the NISS reached 0.322.
In this review, we survey the theories developed in recent years, which are categorized into Folding-based and Molecular-Mechanics-based. In addition, physical bases in the selection of CG beads/time-step, the choice of effective potentials, representation of solvent, and restoration of molecular representations back to their atomic details are systematically discussed.
Although the number of samples analyzed is limited and obviously not representative of the whole country, they were originated from a systematic collection at a national cancer reference centre providing a potential good representation of all cases in the country.
