7 search results - page 1 / 2 » GPU acceleration of a production molecular docking code |
ASPLOS
2009
ACM
14 years 5 months ago
2009
ACM
Abstract: Modeling the interactions of biological molecules, or docking, is critical to both understanding basic life processes and to designing new drugs. Here we describe the GPU...
FPL
2008
Springer
13 years 6 months ago
2008
Springer
: Modeling the interactions of biological molecules, or docking is critical to both understanding basic life processes and to designing new drugs. Here we describe the FPGA-based a...
SC
2009
ACM
14 years 16 hour ago
2009
ACM
Energy minimization is an important step in molecular modeling, with applications in molecular docking and in mapping binding sites. Minimization involves repeated evaluation of v...
BMCBI
2008
13 years 5 months ago
2008
Background: Searching for similarities in protein and DNA databases has become a routine procedure in Molecular Biology. The Smith-Waterman algorithm has been available for more t...
JCPHY
2011
12 years 8 months ago
2011
The calculation of radial distribution functions (RDFs) from molecular dynamics trajectory data is a common and computationally expensive analysis task. The rate limiting step in ...