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Modeling in Computational Biology and Biomedicine: A by Frédéric Cazals, Tom Dreyfus, Charles H. Robert (auth.), PDF

By Frédéric Cazals, Tom Dreyfus, Charles H. Robert (auth.), Frédéric Cazals, Pierre Kornprobst (eds.)

ISBN-10: 3642312071

ISBN-13: 9783642312076

ISBN-10: 364231208X

ISBN-13: 9783642312083

Computational biology, mathematical biology, biology and biomedicine are at present present process superb progresses because of a synergy among technological advances and inputs from physics, chemistry, arithmetic, records and desktop technology. The objective of this ebook is to facts this synergy through describing chosen advancements within the following fields: bioinformatics, biomedicine and neuroscience.

This paintings is exclusive in respects - first, via the diversity and scales of platforms studied and moment, through its presentation: each one bankruptcy presents the organic or scientific context, follows up with mathematical or algorithmic advancements brought on through a selected challenge and concludes with one or good fortune tales, specifically new insights won because of those methodological advancements. It additionally highlights a few unsolved and impressive theoretical questions, with a most likely excessive impression on those disciplines.

Two groups can be quite attracted to this publication. the 1st one is the tremendous neighborhood of utilized mathematicians and desktop scientists, whose pursuits will be captured through the additional worth generated by means of the applying of complex innovations and algorithms to difficult organic or clinical difficulties. the second one is the both monstrous group of biologists. even if scientists or engineers, they're going to locate during this booklet a transparent and self-contained account of options and strategies from arithmetic and machine technology, including luck tales on their favourite structures. the diversity of platforms defined represents a panoply of complementary conceptual instruments. On a realistic point, the assets indexed on the finish of every bankruptcy (databases, software program) supply important help for purchasing all started on a selected subject within the fields of biomedicine, bioinformatics and neuroscience.

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Additional info for Modeling in Computational Biology and Biomedicine: A Multidisciplinary Endeavor

Sample text

2. The second stems from the fact that non covalent interactions account for the structure of macromolecular complexes. Given that the distance between non-covalently bonded atoms is strictly larger than the sum of their vdW radii, a vdW model does not inform us about such contacts in a complex—atoms from two chains in contact do not intersect. Both problems are solved resorting in the Solvent Accessible Model, which consists of expanding the atomic radii, thus mimicking a continuous layer of solvent molecules.

Shape information was also incorporated, notably in the dependence of the densities on the concave or convex regions in the protein surface. Second, models of binding patches have been used to investigate the correlations between structural parameters and dissociation free energies. In [45], the weighted average of the shelling order of the atoms of the binding patch has been shown to outperform all other contenders to predict the binding affinities of the binding affinity benchmark [39]. On the morphology of an interface: core and rim models.

Experimental observables reflect the intrinsically statistical quality of the phenomena, in which a large number of macromolecules, under thermal agitation, repeatedly visit and revisit favorable regions of the conformational space and only rarely venture into higher energy zones. The strength (affinity) of a specific interaction between two macromolecules is typically determined by the properties of three regions in the configurational space, which regroups the conformational spaces of the two isolated components and of the complex.

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Modeling in Computational Biology and Biomedicine: A Multidisciplinary Endeavor by Frédéric Cazals, Tom Dreyfus, Charles H. Robert (auth.), Frédéric Cazals, Pierre Kornprobst (eds.)

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