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IPPS
2010
IEEE
9 years 8 days ago
Measuring properties of molecular surfaces using ray casting
Molecular geometric properties, such as volume, exposed surface area, and occurrence of internal cavities, are important inputs to many applications in molecular modeling. In this ...
Mike Phillips, Iliyan Georgiev, Anna Katharina Deh...
TSMC
1998
74views more  TSMC 1998»
9 years 2 months ago
An invariant performance measure for surface reconstruction using the volume between two surfaces
—In this paper, we propose the volume between two surfaces normalized by the surface area (interpreted as average distance between two surfaces) as an invariant quantitative meas...
June-Ho Yi, David M. Chelberg
JCC
2002
61views more  JCC 2002»
9 years 2 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
ENGL
2008
100views more  ENGL 2008»
9 years 2 months ago
Effect of Surface Expansion and Compression on the Surface Tension of 1-octanol Solutions
This paper investigates how expansion and compression of the surface of a drop containing an organic compound, 1-octanol, affect surface tension. The experiments were performed in...
A. Firooz, P. Chen
COMPGEOM
2005
ACM
9 years 4 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
IWVF
2001
Springer
9 years 6 months ago
Volume and Surface Area Distributions of Cracks in Concrete
Volumetric images of small mortar samples under load are acquired by X-ray microtomography. The images are binarized at many different threshold values, and over a million connecte...
George Nagy, Tong Zhang, W. R. Franklin, Eric Land...
WABI
2005
Springer
9 years 7 months ago
Improved Maintenance of Molecular Surfaces Using Dynamic Graph Connectivity
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...
Eran Eyal, Dan Halperin
FOCS
2006
IEEE
9 years 8 months ago
Heat Flow and a Faster Algorithm to Compute the Surface Area of a Convex Body
We draw on the observation that the amount of heat diffusing outside of a heated body in a short period of time is proportional to its surface area, to design a simple algorithm f...
Mikhail Belkin, Hariharan Narayanan, Partha Niyogi
FOCS
2008
IEEE
9 years 8 months ago
Learning Geometric Concepts via Gaussian Surface Area
We study the learnability of sets in Rn under the Gaussian distribution, taking Gaussian surface area as the “complexity measure” of the sets being learned. Let CS denote the ...
Adam R. Klivans, Ryan O'Donnell, Rocco A. Servedio
FOCS
2008
IEEE
9 years 8 months ago
Spherical Cubes and Rounding in High Dimensions
What is the least surface area of a shape that tiles Rd under translations by Zd ? Any such shape must have volume 1 and hence surface area at least that of the volume-1 ball, nam...
Guy Kindler, Ryan O'Donnell, Anup Rao, Avi Wigders...
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