1329 search results - page 1 / 266 » Randomly Sampling Molecules |
SODA
1997
ACM
13 years 6 months ago
1997
ACM
We give a polynomial-time algorithm for the following problem: Given a degree sequence in which each degree is bounded from above by a constant, select, uniformly at random, an un...
JCC
2007
13 years 4 months ago
2007
Abstract: A novel self-organizing algorithm for conformational sampling is introduced, in which precomputed conformations of rigid fragments are used as templates to enforce the de...
ICCS
2004
Springer
13 years 10 months ago
2004
Springer
Shadow Hybrid Monte Carlo (SHMC) is a new method for sampling the phase space of large biological molecules. It improves sampling by allowing larger time steps and system sizes in ...
KDD
2004
ACM
14 years 5 months ago
2004
ACM
Metabolomics is the omics science of biochemistry. The associated data include the quantitative measurements of all small molecule metabolites in a biological sample. These datase...
JCB
2007
13 years 4 months ago
2007
Optical mapping is an integrated system for the analysis of single DNA molecules. It constructs restriction maps (noted as “optical map”) from individual DNA molecules present...