Nanotech 2006 Vol. 2
Nanotech 2006 Vol. 2
Technical Proceedings of the 2006 NSTI Nanotechnology Conference and Trade Show, Volume 2

Computational Modeling in Life Sciences Chapter 4

A Simple Surface Representation Scheme for Rigid Body Docking

Authors: V.K. Tripathi, B. Dasgupta, K. Deb and H.K. Voruganti

Affilation: Indian Institute of Technology, India

Pages: 313 - 316

Keywords: modeling, docking, B-spline, drug

Abstract:
In this paper, a new approach is proposed for modeling the surface patches of protein molecules for rigid body docking. The scheme presented in this paper for surface representation is simple and efficient. The proposed approach aims at representing the huge data of molecular surface with a few control points. In the process, an inverse problem in B-spline surface fitting is solved using Cholesky decomposition or singular value decomposition of an input data matrix. The input to the scheme is surface point data arranged on topologically rectangular grid.

A Simple Surface Representation Scheme for Rigid Body Docking

ISBN: 0-9767985-7-3
Pages: 893
Hardcopy: $119.95