Sciweavers

BILDMED
2008
13 years 11 months ago
Molecular Surface Decomposition Using Graphical Modeling
: We decompose molecular surfaces which are in the form of Van der Waals model into a structure adapted for mesh-free modeling. Our focus is on the generation of spherical patches ...
H. Maharavo Randrianarivony, Guido Brunnett
COMPLIFE
2006
Springer
14 years 1 months ago
A Point-Matching Based Algorithm for 3D Surface Alignment of Drug-Sized Molecules
Abstract. Molecular shapes play an important role in molecular interactions, e.g., between a protein and a ligand. The `outer' shape of a molecule can be approximated by its s...
Daniel Baum, Hans-Christian Hege