8 search results - page 1 / 2 » Dynamic maintenance of molecular surfaces under conformation... |
COMPGEOM
2005
ACM
13 years 6 months ago
2005
ACM
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...
WABI
2005
Springer
13 years 10 months ago
2005
Springer
We present recent developments in efficiently maintaining the boundary and surface area of protein molecules as they undergo conformational changes. As the method that we devised k...
CCCG
1998
13 years 6 months ago
1998
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...
SMA
2009
ACM
13 years 11 months ago
2009
ACM
We present the “Dynamic Packing Grid” (DPG) data structure along with details of our implementation and performance results, for maintaining and manipulating flexible molecul...
BMCBI
2007
13 years 5 months ago
2007
Background: The mechanisms underlying protein function and associated conformational change are dominated by a series of local entropy fluctuations affecting the global structure ...