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SMA
2009
ACM
185views Solid Modeling» more  SMA 2009»
13 years 11 months ago
A dynamic data structure for flexible molecular maintenance and informatics
We present the “Dynamic Packing Grid” (DPG) data structure along with details of our implementation and performance results, for maintaining and manipulating flexible molecul...
Chandrajit L. Bajaj, Rezaul Alam Chowdhury, Muhibu...
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
CCCG
1998
13 years 5 months ago
Dynamic maintenance and visualization of molecular surfaces
Molecular surface computations are often necessary in order to perform synthetic drug design. A critical step in this process is the computation and update of an exact boundary re...
Chandrajit L. Bajaj, Valerio Pascucci, Robert J. H...
RECOMB
2009
Springer
14 years 5 months ago
An Online Approach for Mining Collective Behaviors from Molecular Dynamics Simulations
Collective behavior involving distally separate regions in a protein is known to widely affect its function. In this paper, we present an online approach to study and characterize ...
Arvind Ramanathan, Pratul K. Agarwal, Maria Kurnik...
BIODATAMINING
2008
117views more  BIODATAMINING 2008»
13 years 4 months ago
Search extension transforms Wiki into a relational system: A case for flavonoid metabolite database
Background: In computer science, database systems are based on the relational model founded by Edgar Codd in 1970. On the other hand, in the area of biology the word 'databas...
Masanori Arita, Kazuhiro Suwa