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The technology uses nuclear magnetic resonance (NMR) spectroscopy-based structural information to drive inhibitor design without the need for full structures, therefore significantly expediting the drug discovery process.
Due to their proprietary nature, we cannot disclose the full structures, but the molecules in the transformations are similar to each other.
The Structure Generation algorithm is arranged in such a way that first it produces substructures which are then complemented by new bonds until full structures are generated.
Compounds of the cryptolepine series were incorporated in the user library as full structures along with their associated 13C NMR spectra.
Although the full structures of the HCN polymers are not yet revealed, the deconvolution of the thermal curves provides an excellent signature for comparative purposes.
High-resolution backbone structures of both piscidins exist in the presence of hydrated phospholipid bilayers but full structures that include the side chains are missing.
Similar(47)
Mr. Miller could name the full structure of the Council as early as today, although he was still shifting pieces of the jigsaw puzzle of leadership and committee membership positions last night, aides said.
This section deals with the full structure (Figures 2,3).
For every coverage we performed a full structure optimization, including substrate relaxations.
The quality of the obtained data allows for full structure refinements by the Rietveld method.
For particular classes of parameters, we describe the full structure of the optimal mechanisms.
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