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JCC
2002
61views more  JCC 2002»
13 years 9 months ago
A fast pairwise evaluation of molecular surface area
: A fast and general analytical approach was developed for the calculation of the approximate van der Waals and solvent-accessible surface areas. The method is based on three basic...
Vladislav Vasilyev, Enrico O. Purisima
SMA
2009
ACM
185views Solid Modeling» more  SMA 2009»
14 years 4 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...