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A molecular model of PAV1 illustrates a possible conformation the anionic peptide lock may assume, hovering over the cationic HBD.
The model represents a possible conformation in which the linker is oriented horizontally and the N-terminal domain is located relatively close to the membrane.
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The design of the individual pri-miR mimics enabled the modular assembly into multimeric mimics of any possible conformation.
The resulting space, which contains all possible conformations, represents the conformational space of the molecule.
Additionally, we needed a means to find all possible conformations of the given nucleobase pairs.
Hence, unlike traditional DEE, by appropriately manipulating lower and upper energy bounds, Equation (5) simultaneously takes into account all possible conformations from a given finite set of backbones.
We present a new program for conformer generation, Confab, which aims to generate diverse low energy conformers that span the space of all possible conformations.
The fragment-based conformation sampling method (e.g. FARNA) bears shortcomings that the limited size of a fragment library makes it infeasible to represent all possible conformations well.
If the conformational space is sufficiently small, systematic approaches can create all possible conformations iteratively and keep all low-energy conformations.
In methylcyclohexane, the chair conformation in which the large methyl group is equatorial is the most stable and, therefore, the most populated of all possible conformations.
These functions were used to assign a rank to each possible conformation.
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CEO of Professional Science Editing for Scientists @ prosciediting.com