Jaydeep bardhan (4 résultats)

Taschenbuch. Etat : Neu. Computational Methods for Molecular Analysis and Design | Efficient Numerical Algorithms for Surface Formulations of Mathematical Models of Solvation | Jaydeep Bardhan | Taschenbuch | Englisch | VDM Verlag Dr. Müller | EAN 9783639142617 | Verantwortliche Person für die EU: preigu GmbH & Co. KG, Lengericher Landstr. 19, 49078 Osnabrück, mail[at]preigu[dot]de | Anbieter: preigu. …

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Kartoniert / Broschiert. Etat : New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Autor/Autorin: Bardhan JaydeepJaydeep received his S.B., M.Eng., and Ph.D. degrees from thendepartment of Electrical Engineering and Computer Science at thenMassachusetts Institute of Technology. His research focuses onncomputational methods for m.…

Taschenbuch. Etat : Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - The text presents a set of numerical techniques thatextend and improve computational modelingapproaches for biomolecule analysis and design. Thepresented research focuses on surfaceformulations of modeling problems related to theestimation of the energetic cost to transfer abiomolecule from the gas phase to aqueous solution.Four contributions to modeling biomolecularinteractions are presented. The first sectiondescribes an approach to allow accuratediscretization of the most prevalent definitions ofthe biomolecule solvent interface, and numericalmethods for numerically integrating possibly singularfunctions over these discretizations. The secondsection presents a fast multiscale numericalalgorithm, FFTSVD, that efficiently solves largeproblems in biomolecule electrostatics. The thirdpart describes an integral-equation formulation andboundary-element method implementation forbiomolecule electrostatic analysis. The finalsection details an efficient numerical method forcalculating a biomolecular charge distribution thatminimizes the free energy of binding to anothermolecule. This approach represents a novelPDE-constrained optimization technique.…