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Titlebook: Computational Life Sciences; First International Michael R. Berthold,Robert C. Glen,Ingrid Fischer Conference proceedings 2005 Springer-Ve

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Strukturwandel der industriellen Beziehungen. The method first employs graph-theoretical technique in order to find all possible assemblies in crystal. In second step, found assemblies are analysed for chemical stability and only stable oligomers are left as a potential solution. We also discuss theoretical models for the assessment of protei
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Krise und Reform der Tarifpolitik,rties in combination with a geometric encoding scheme. The molecular surface is described by screening charges calculated via COSMO. COSMO, the COnductor-like Screening MOdel, is a quantum-chemical molecular description originally developed and widely validated for solubilities and partition coeffic
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Krise und Reform der Tarifpolitik,stem. We study the screening performance when selected side chains of the target are treated in a continously flexible fashion in a screen of a database of 10000 compounds, which contains ten known substrates for the TK receptor. While the binding modes of the known substrates are not significantly
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https://doi.org/10.1007/978-3-531-90746-8potential energy surfaces. The hierarchical nature of the algorithm (hierarchical discrete approximation or HDA) allows to fully explore the fine- and coarse-grained structure of the free energy surface and can be extended to multidimensional problems. It is shown that for free energy surfaces where
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https://doi.org/10.1007/115605003d protein alignment; Alignment; Annotation; LA; RNA; architecture; bioinformatics; biology; clustering; data
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978-3-540-29104-6Springer-Verlag Berlin Heidelberg 2005
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Computational Life Sciences978-3-540-31726-5Series ISSN 0302-9743 Series E-ISSN 1611-3349
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