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Titlebook: Computational Life Sciences II; Second International Michael R. Berthold,Robert C. Glen,Ingrid Fischer Conference proceedings 2006 Springer

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Grid Assisted Ensemble Molecular Dynamics Simulations of HIV-1 Proteases Reveal Novel Conformations 1 protease with the inhibitor saquinavir. We employ protocols consisting of chained molecular dynamics simulations that allow preparation of desired mutants from an available wildtype structure. By conducting ensembles of molecular dynamics simulations we report differing frequencies of adoption of
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A Structure-Based Analysis of Single Molecule Force Spectroscopy (SMFS) Data for Bacteriorhodopsin aus. Little is known about membrane proteins as there are only a very few high-resolution structures. Single molecule force spectroscopy is a novel technique, which measures the force necessary to pull a protein out of a membrane. Such force curves contain valuable information on the protein’s struct
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Classifying the World Anti-Doping Agency’s 2005 Prohibited List Using the Chemistry Development Kit e 2005 World Anti-Doping Agency’s (WADA) prohibited list, including molecules taken from the corresponding activity classes in the MDL Drug Data Report (MDDR). We used both Random Forest and .-Nearest Neighbours (.NN) algorithms to generate classifiers. The .NN classifiers with.= 1 gave a very sligh
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https://doi.org/10.1007/978-3-531-90746-8ifferent animal taxa. It is shown that common intervals occur often for most taxa and that many common intervals are destroyed when the RMP is solved optimally with standard methods that do not consider common intervals.
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