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CPHYSICS
2007
113views more  CPHYSICS 2007»
13 years 8 months ago
Atomic-level simulation of non-equilibrium surface chemical reactions under plasma-wall interaction
Molecular dynamics (MD) simulations are used for the study of non-thermal-equilibrium reactions that take place on the substrate surface during plasma etching processes. In MD sim...
Satoshi Hamaguchi, Masashi Yamashiro, Hideaki Yama...
BMCBI
2010
151views more  BMCBI 2010»
13 years 8 months ago
Using diffusion distances for flexible molecular shape comparison
Background: Many molecules are flexible and undergo significant shape deformation as part of their function, and yet most existing molecular shape comparison (MSC) methods treat t...
Yu-Shen Liu, Qi Li, Guo-Qin Zheng, Karthik Ramani,...
JIB
2006
102views more  JIB 2006»
13 years 8 months ago
3D image and graph based Computation of Protein Surface
The accessible surface of a macromolecule is a significant determinant of its action. The interaction between biomolecules or protein-ligand is dependent on their surfaces rather ...
A. Ranganath, K. C. Shet, N. Vidyavathi
CAGD
2006
120views more  CAGD 2006»
13 years 8 months ago
Quality meshing of implicit solvation models of biomolecular structures
This paper describes a comprehensive approach to construct quality meshes for implicit solvation models of biomolecular structures starting from atomic resolution data in the Prot...
Yongjie Zhang, Guoliang Xu, Chandrajit L. Bajaj
ICCAD
2006
IEEE
108views Hardware» more  ICCAD 2006»
14 years 5 months ago
From molecular interactions to gates: a systematic approach
The continuous minituarization of integrated circuits may reach atomic scales in a couple of decades. Some researchers have already built simple computation engines by manipulatin...
Josep Carmona, Jordi Cortadella, Yousuke Takada, F...