Titlebook: Computational Aspects of the Study of Biological Macromolecules by Nuclear Magnetic Resonance Spectr; Jeffrey C. Hoch,Flemming M. Poulsen,

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Jeffrey C. Hoch,Flemming M. Poulsen,Christina Redf

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Book 1991gs volume, provide a snapshot of the uses of computers in the NMR of biomolecules. While by no means exhaustive, the picture that emerges illustrates both the· importance and the diversity of their application.

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proceedings volume, provide a snapshot of the uses of computers in the NMR of biomolecules. While by no means exhaustive, the picture that emerges illustrates both the· importance and the diversity of their application.978-1-4757-9796-1978-1-4757-9794-7

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Structural Synthesis in Precision Elasticityrmation into the analysis. Characteristics of this approach of parametric estimation permit somewhat different approaches to experimental design. This may be particularly valuable in the determination of multiple vicinal coupling constants about single bonds.

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https://doi.org/10.1007/978-94-007-7401-8 with the computation..Obtaining the 3-D coordinates of a protein structure from 2-D spectra is commonly performed using a combination of distance-geometry and molecular dynamics calculations. We have implemented an efficient systolic loop algorithm for parallel molecular dynamics simulations on the

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Structural Synthesis of Parallel Robotsd a procedure, based on molecular dynamics simulation techniques, which generates such an ensemble of molecules.. While individual members of the ensemble may violate the experimental constraints, the ensemble taken as a whole must reproduce the data. Using this approach, the resulting set of struct