Someof the geometric problemsof interest to molecular biologists havemacroscopicanaloguesin the field of robotics. Twoexamples of such analogies are those between protein docking ...
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...
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...
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...
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,...