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COMPLIFE
2006
Springer
14 years 1 months ago
A Point-Matching Based Algorithm for 3D Surface Alignment of Drug-Sized Molecules
Abstract. Molecular shapes play an important role in molecular interactions, e.g., between a protein and a ligand. The `outer' shape of a molecule can be approximated by its s...
Daniel Baum, Hans-Christian Hege
FCCM
2007
IEEE
169views VLSI» more  FCCM 2007»
14 years 4 months ago
FPGA-Based Multigrid Computation for Molecular Dynamics Simulations
Abstract: FPGA-based acceleration of molecular dynamics (MD) has been the subject of several recent studies. Implementing long-range forces, however, has only recently been address...
Yongfeng Gu, Martin C. Herbordt
BIBE
2004
IEEE
107views Bioinformatics» more  BIBE 2004»
14 years 1 months ago
Fast Parallel Molecular Algorithms for DNA-based Computation: Factoring Integers
The RSA public-key cryptosystem is an algorithm that converts input data to an unrecognizable encryption and converts the unrecognizable data back into its original decryption form...
Weng-Long Chang, Michael (Shan-Hui) Ho, Minyi Guo
ISMB
1993
13 years 11 months ago
Computationally Efficient Cluster Representation in Molecular Sequence Megaclassification
Molecular sequence megaclassification is a technique for automated protein sequence analysis and annotation. Implementation of the method has been limited by the need to store and...
David J. States, Nomi L. Harris, Lawrence Hunter
RECOMB
1998
Springer
14 years 2 months ago
The hierarchical organization of molecular structure computations
The task of computing molecular structure from combinations of experimental and theoretical constraints is expensive because of the large number of estimated parameters (the 3D co...
Cheng Che Chen, Jaswinder Pal Singh, Russ B. Altma...