Exact(2)
If we compare the points at n = 0 and n = 1, it is clear that choosing the conformation with the single lowest energy for each peptide was always better than choosing a single arbitrary conformation.
Parameter files were generated for the ligands using the utility script hetgrp_ffgen (Schrodinger Inc .. PRIME docking then built the ligand from the core fragment in an arbitrary conformation in the active site.
Similar(58)
Using AD4's ability to score arbitrary ligand conformations, we evaluated each of the final conformations reported by Vina.
The portion of the protein not belonging to any determined alpha helix or beta sheet, that is, the unstructured portion, can be built as a linear chain or in an arbitrary physically permissible conformation.
The starting conformations were arbitrary placed in the water phase.
The underlying stochastic dynamical model allows us to synthesize new conformations of arbitrary length.
In other words, this arbitrary Δφ determined the chain conformation, for such a model where θ was assumed to be fixed and l a freely rotating chain.
The choice of a base conformation here is arbitrary; a natural choice for it is the PDB structure, since one is often interested in conformational variability not captured by the published PDB structure.
Without arbitrary parameters to pre-define the conformation of the chromosome chain (i.e., no conformation parameters), the models allow a direct examination of how chromosome conformations emerge from different modes of condensin interactions (i.e., stochastic pairwise interactions and higher order condensing assemblies for the Type I and II models, respectively).
Its form is arbitrary.
Further, AmyloidMutants does not predict kinetics of amyloid formation, but simply the set of possible conformations at steady-state encompassing arbitrary environment conditions.
Write better and faster with AI suggestions while staying true to your unique style.
Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com