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SCFBM
2008
92views more  SCFBM 2008»
13 years 7 months ago
CRANKITE: A fast polypeptide backbone conformation sampler
Background: CRANKITE is a suite of programs for simulating backbone conformations of polypeptides and proteins. The core of the suite is an efficient Metropolis Monte Carlo sample...
Alexei A. Podtelezhnikov, David L. Wild
KDD
2005
ACM
162views Data Mining» more  KDD 2005»
14 years 8 months ago
Discovering frequent topological structures from graph datasets
The problem of finding frequent patterns from graph-based datasets is an important one that finds applications in drug discovery, protein structure analysis, XML querying, and soc...
Ruoming Jin, Chao Wang, Dmitrii Polshakov, Sriniva...
COCOON
2009
Springer
14 years 2 months ago
Determination of Glycan Structure from Tandem Mass Spectra
Glycans are molecules made from simple sugars that form complex tree structures. Glycans constitute one of the most important protein modifications, and identification of glycans...
Sebastian Böcker, Birte Kehr, Florian Rasche
BMCBI
2010
121views more  BMCBI 2010»
13 years 7 months ago
Knowledge-based annotation of small molecule binding sites in proteins
Background: The study of protein-small molecule interactions is vital for understanding protein function and for practical applications in drug discovery. To benefit from the rapi...
Ratna R. Thangudu, Manoj Tyagi, Benjamin A. Shoema...
BMCBI
2007
144views more  BMCBI 2007»
13 years 7 months ago
Assessing the ability of sequence-based methods to provide functional insight within membrane integral proteins: a case study an
Background: Efforts to predict functional sites from globular proteins is increasingly common; however, the most successful of these methods generally require structural insight. ...
Dennis R. Livesay, Patrick D. Kidd, Sepehr Eskanda...