796 search results - page 5 / 160 » Molecular Surface Abstraction |
ITCC
2005
IEEE
14 years 28 days ago
2005
IEEE
New developments in the field of theoretical chemistry require the computation of numerous Molecular Potential Energy Surfaces (PESs) to generate adequate quantum force field pa...
COMPGEOM
2005
ACM
13 years 9 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...
PSB
2001
13 years 8 months ago
2001
JCC
2002
13 years 7 months ago
2002
: 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...
ICCS
2003
Springer
14 years 17 days ago
2003
Springer