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CPHYSICS
2006
124views more  CPHYSICS 2006»
13 years 7 months ago
Collision-free spatial hash functions for structural analysis of billion-vertex chemical bond networks
State-of-the-art molecular dynamics (MD) simulations generate massive datasets involving billion-vertex chemical bond networks, which makes data mining based on graph algorithms s...
Cheng Zhang, Bhupesh Bansal, Paulo S. Branicio, Ra...
BMCBI
2006
155views more  BMCBI 2006»
13 years 7 months ago
CAVER: a new tool to explore routes from protein clefts, pockets and cavities
Background: The main aim of this study was to develop and implement an algorithm for the rapid, accurate and automated identification of paths leading from buried protein clefts, ...
Martin Petrek, Michal Otyepka, Pavel Banás,...
ICCS
2007
Springer
14 years 1 months ago
Validating Evolving Simulations in COERCE
We seek to increase user confidence in simulations as they are adapted to meet new requirements. Our approach includes formal representation of uncertainty, lightweight validation,...
Paul F. Reynolds Jr., Michael Spiegel, Xinyu Liu, ...
ASPLOS
2010
ACM
13 years 10 months ago
Butterfly analysis: adapting dataflow analysis to dynamic parallel monitoring
Online program monitoring is an effective technique for detecting bugs and security attacks in running applications. Extending these tools to monitor parallel programs is challeng...
Michelle L. Goodstein, Evangelos Vlachos, Shimin C...
BMCBI
2006
179views more  BMCBI 2006»
13 years 7 months ago
Multiscale Hy3S: Hybrid stochastic simulation for supercomputers
Background: Stochastic simulation has become a useful tool to both study natural biological systems and design new synthetic ones. By capturing the intrinsic molecular fluctuation...
Howard Salis, Vassilios Sotiropoulos, Yiannis N. K...