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HIPC
2007
Springer
14 years 1 months ago
Molecular Dynamics Simulations on Commodity GPUs with CUDA
Molecular dynamics simulations are a common and often repeated task in molecular biology. The need for speeding up this treatment comes from the requirement for large system simula...
Weiguo Liu, Bertil Schmidt, Gerrit Voss, Wolfgang ...
ICPP
2006
IEEE
14 years 1 months ago
Scalable Time-Parallelization of Molecular Dynamics Simulations in Nano Mechanics
— Molecular Dynamics (MD) is an important atomistic simulation technique, with widespread use in computational chemistry, biology, and materials. An important limitation of MD is...
Yanan Yu, Ashok Srinivasan, Namas Chandra
FCCM
2006
IEEE
201views VLSI» more  FCCM 2006»
13 years 11 months ago
Hardware/Software Approach to Molecular Dynamics on Reconfigurable Computers
With advances in reconfigurable hardware, especially field-programmable gate arrays (FPGAs), it has become possible to use reconfigurable hardware to accelerate complex applicatio...
Ronald Scrofano, Maya Gokhale, Frans Trouw, Viktor...
JCC
2002
88views more  JCC 2002»
13 years 7 months ago
Pattern recognition strategies for molecular surfaces. I. Pattern generation using fuzzy set theory
: A new method for the characterization of molecules based on the model approach of molecular surfaces is presented. We use the topographical properties of the surface as well as t...
Thomas E. Exner, Matthias Keil, Jürgen Brickm...
IRI
2007
IEEE
14 years 1 months ago
BESearch: A Supervised Learning Approach to Search for Molecular Event Participants
Biomedical researchers rely on keyword-based search engines to retrieve superficially relevant documents, from which they must filter out irrelevant information manually. Hence, t...
Richard Tzong-Han Tsai, Hong-Jie Dai, Hsi-Chuan Hu...