796 search results - page 16 / 160 » Molecular Surface Abstraction |
JCC
2007
13 years 8 months ago
2007
Abstract: The relative aromaticity of benzenoid rings in the linear polyacenes is investigated using two novel aromaticity approaches. According to the first, the aromaticity of i...
ASPLOS
2009
ACM
14 years 9 months ago
2009
ACM
Abstract: Modeling the interactions of biological molecules, or docking, is critical to both understanding basic life processes and to designing new drugs. Here we describe the GPU...
ICCS
2007
Springer
14 years 2 months ago
2007
Springer
Abstract. We extend the hyperdynamics method developed for lowdimensional energy-dominated systems, to simulate slow dynamics in more general atomistic systems. We show that a few ...
UIST
2003
ACM
14 years 1 months ago
2003
ACM
This paper presents a new GUI architecture for creating advanced interfaces. This model is based on a limited set of general principles that improve flexibility and provide capabi...
TMI
2010
13 years 3 months ago
2010
Abstract--Reconstruction algorithms for fluorescence tomography have to address two crucial issues : (i) the ill-posedness of the reconstruction problem, (ii) the large scale of nu...