Computational Methods for Molecular Analysis and Design

Name: Computational Methods for Molecular Analysis and Design
Brand: VDM Verlag
SKU: 9783639142617
Price: 70.36 EUR
Availability: InStock

Efficient Numerical Algorithms for Surface Formulations of Mathematical Models of Solvation

Автор: Jaydeep Bardhan

Език:

Корици: С меки корици

Издател: VDM Verlag

Наличност: Налично при издателя, по поръчка

Изпращаме след 17-27 дни

70.36 € 137.62 лв

The text presents a set of numerical techniques that§extend and improve computational modeling§appro...

Информация за книгата

Автор

Jaydeep Bardhan

Език

Английски език

Корици

Книга - С меки корици

Издадена

2009

страници

196

EAN

9783639142617

ISBN

3639142616

Enbook ID

06822876

Издател

VDM Verlag

Теглоt

295

Размери

152 x 229 x 11

Пълно описание

The text presents a set of numerical techniques that§extend and improve computational modeling§approaches for biomolecule analysis and design. The§presented research focuses on surface§formulations of modeling problems related to the§estimation of the energetic cost to transfer a§biomolecule from the gas phase to aqueous solution.§Four contributions to modeling biomolecular§interactions are presented. The first section§describes an approach to allow accurate§discretization of the most prevalent definitions of§the biomolecule solvent interface, and numerical§methods for numerically integrating possibly singular§functions over these discretizations. The second§section presents a fast multiscale numerical§algorithm, FFTSVD, that efficiently solves large§problems in biomolecule electrostatics. The third§part describes an integral-equation formulation and§boundary-element method implementation for§biomolecule electrostatic analysis. The final§section details an efficient numerical method for§calculating a biomolecular charge distribution that§minimizes the free energy of binding to another§molecule. This approach represents a novel§PDE-constrained optimization technique.

Може също да ви хареса

Клиенти, които купиха тази книга, купиха също

Най-често търсени

Categories

Authors

Publishers

Продукти

Продукти

Най-често търсени

Categories

Authors

Publishers

Продукти

Продукти

Computational Methods for Molecular Analysis and Design

Efficient Numerical Algorithms for Surface Formulations of Mathematical Models of Solvation

Информация за книгата

Пълно описание

Може също да ви хареса

Клиенти, които купиха тази книга, купиха също