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CSB
2005
IEEE
136views Bioinformatics» more  CSB 2005»
13 years 10 months ago
An Algebraic Geometry Approach to Protein Structure Determination from NMR Data
Our paper describes the first provably-efficient algorithm for determining protein structures de novo, solely from experimental data. We show how the global nature of a certain ...
Lincong Wang, Ramgopal R. Mettu, Bruce Randall Don...
CSB
2004
IEEE
177views Bioinformatics» more  CSB 2004»
13 years 8 months ago
High-Throughput 3D Structural Homology Detection via NMR Resonance Assignment
One goal of the structural genomics initiative is the identification of new protein folds. Sequence-based structural homology prediction methods are an important means for priorit...
Christopher James Langmead, Bruce Randall Donald
RECOMB
2004
Springer
14 years 5 months ago
A random graph approach to NMR sequential assignment
Nuclear magnetic resonance (NMR) spectroscopy allows scientists to study protein structure, dynamics and interactions in solution. A necessary first step for such applications is ...
Chris Bailey-Kellogg, Sheetal Chainraj, Gopal Pand...
CSB
2003
IEEE
176views Bioinformatics» more  CSB 2003»
13 years 10 months ago
3D Structural Homology Detection via Unassigned Residual Dipolar Couplings
Recognition of a protein’s fold provides valuable information about its function. While many sequence-based homology prediction methods exist, an important challenge remains: tw...
Christopher James Langmead, Bruce Randall Donald
BMCBI
2007
138views more  BMCBI 2007»
13 years 5 months ago
A novel Bayesian approach to quantify clinical variables and to determine their spectroscopic counterparts in 1H NMR metabonomic
Background: A key challenge in metabonomics is to uncover quantitative associations between multidimensional spectroscopic data and biochemical measures used for disease risk asse...
Aki Vehtari, Ville-Petteri Mäkinen, Pasi Soin...