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» On the rigidity of molecular graphs
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TCBB
2008
108views more  TCBB 2008»
13 years 7 months ago
Statistical Characterization of Protein Ensembles
When accounting for structural fluctuations or measurement errors, a single rigid structure may not be sufficient to represent a protein. One approach to solve this problem is to r...
Diego Rother, Guillermo Sapiro, Vijay Pande
SAC
2009
ACM
14 years 2 months ago
On a discretizable subclass of instances of the molecular distance geometry problem
The molecular distance geometry problem can be formulated as the problem of finding an immersion in R3 of a given undirected, nonnegatively weighted graph G. In this paper, we di...
Carlile Lavor, Leo Liberti, Antonio Mucherino, Nel...
DILS
2005
Springer
13 years 9 months ago
Assigning Unique Keys to Chemical Compounds for Data Integration: Some Interesting Counter Examples
Integrating data involving chemical structures is simplified when unique identifiers (UIDs) can be associated with chemical structures. For example, these identifiers can be use...
Greeshma Neglur, Robert L. Grossman, Bing Liu
COMPGEOM
2005
ACM
13 years 9 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
ISMB
1993
13 years 9 months ago
Computationally Efficient Cluster Representation in Molecular Sequence Megaclassification
Molecular sequence megaclassification is a technique for automated protein sequence analysis and annotation. Implementation of the method has been limited by the need to store and...
David J. States, Nomi L. Harris, Lawrence Hunter