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» Geometric Problems in Molecular Biology and Robotics
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ISMB
1994
13 years 6 months ago
Geometric Problems in Molecular Biology and Robotics
Someof the geometric problemsof interest to molecular biologists havemacroscopicanaloguesin the field of robotics. Twoexamples of such analogies are those between protein docking ...
David Parsons, John F. Canny
ISMB
1994
13 years 6 months ago
Kinematic Manipulation of Molecular Chains Subject to Rigid Constraint
Wepresent algorithms for kinematic manipulation of molecular chains subject to fixed bond lengths and bond angles. They are useful for calculating conformations of a molecule subj...
Dinesh Manocha, Yunshan Zhu
COMPGEOM
2005
ACM
13 years 6 months ago
Dynamic maintenance of molecular surfaces under conformational changes
We present an efficient algorithm for maintaining the boundary and surface area of protein molecules as they undergo conformational changes. We also describe a robust implementati...
Eran Eyal, Dan Halperin
BMCBI
2010
151views more  BMCBI 2010»
13 years 5 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,...
RECOMB
1999
Springer
13 years 9 months ago
Fast detection of common geometric substructure in proteins
We consider the problem of identifying common three-dimensional substructures between proteins. Our method is based on comparing the shape of the α-carbon backbone structures of ...
L. Paul Chew, Daniel P. Huttenlocher, Klara Kedem,...