Computational Methods for Molecular Analysis and Design
by Jaydeep Bardhan (9783639142617)

Computational Methods for Molecular Analysis and Design
 

Jaydeep Bardhan


Release Date: 01 April 2009
Format: Paperback
Pages: 196
Category: Biophysics
Publisher: VDM Verlag
ISBN: 9783639142617
ISBN-10: 3639142616



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.

AUD $138.95

 This title is not held in stock & is ordered from suppliers, subject to availability.



Write a customer review of Computational Methods for Molecular Analysis and Design.



If you like this title please tell others:

tell others

post to your Facebook wall post on Twitter post on Digg recommend to Stumbleupon bookmark on Delicious RSS feed send to a friend


Australian BookShop
Australian Bookshop. Established 2003
Search
Shopping Cart Customer Support


HolisticPage
International Online Store
of Inspiration
we ship everywhere
Australia Post
Australia Wide
.
Worldwide