Sentence examples for following docking from inspiring English sources

The transposed ligand binding pose serves as the starting structure in the following docking and scoring.

Data for 18 polysubstituted pyrrole compounds are reported, including antiproliferative activity against human MDA-MB-435 cells and calculated free energies of binding following docking the compounds into models of αβ-tubulin.

The established VEGFR3 homology model was then used for the following docking study.

AutoDock4 (version 4.1) with the Lamarckian genetic algorithm was used with the following docking parameters: 100 docking runs, population size of 200, random starting position and conformation, translation step ranges of 2.0 Å, mutation rate of 0.02, crossover rate of 0.8, local search rate of 0.06, and 2.5 million energy evaluations [ 17].

Another interaction that could contribute to PIP2-triggered kinase activation is direct binding of the pseudosubstrate to PIP2, but as noted for diffusion on PC/PS bilayers (see above), such an interaction would provide too little friction to account for the observed PKCα slowing following docking of the C2 domain to PC/PS/PIP2 bilayers that requires C1A insertion for a quantitative explanation.

Following docking investigations, based on theoretical models of truncated SK2 and SK3 channels, the benzyl side chain of N-methyl-laudanosine (NML) was functionalized in order to target this specific amino-acid residues.

Each docking pose was evaluated by the following Dock Score energy function:   Dock Score = − (ligand/receptor interaction energy + ligand internal energy).

Docking of compounds was performed using the following 7 docking programs: AutoDock, Cdocker, eHits, LigFit, Dock, Surflex and Glide accessible as described [71].

(A ) Single molecule FRET time trace obtained following dsDNA docking to a RecA filament formed on a DNA strand containing two identical homology sites HS1 and HS2 with 8 nt homology at each site.

In the second phase of movement, following GroES docking, the further elevation of the apical domains and massive 100° clockwise twist provide the power stroke of chaperonin movement, which ejects the substrate protein from its binding sites by peeling away the remaining hydrophobic sites on helix I and the underlying segment.

When kinesin is in its 1-HB state [A, B], the NL might serve to suppress rear-head rebinding in the ATP-waiting state [A], as part of the stepping gate, or to promote tethered-head binding (following NL docking) in the bound head [B], as part of the binding gate.