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» Protein Conformational Flexibility Analysis with Noisy Data
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BCB
2010
125views Bioinformatics» more  BCB 2010»
14 years 4 months ago
Protein structure alignment using elastic shape analysis
In this paper we present a method for flexible protein structure alignment based on elastic shape analysis of backbones, in a manner that can incorporate different characteristics...
Wei Liu, Anuj Srivastava, Jinfeng Zhang
BMCBI
2010
118views more  BMCBI 2010»
14 years 9 months ago
Computing H/D-Exchange rates of single residues from data of proteolytic fragments
Background: Protein conformation and protein/protein interaction can be elucidated by solution-phase Hydrogen/ Deuterium exchange (sHDX) coupled to high-resolution mass analysis o...
Ernst Althaus, Stefan Canzar, Carsten Ehrler, Mark...
ICCSA
2004
Springer
15 years 2 months ago
High Throughput in-silico Screening against Flexible Protein Receptors
We report results for the in-silico screening of a database of 10000 flexible compounds against various crystal structures of the thymidine kinase receptor complexed with 10 know...
Holger Merlitz, Wolfgang Wenzel
BICOB
2010
Springer
15 years 2 months ago
Folding-aware and Structure-conscious 3D Substructures in Folding Data: Identification and Applications
Molecular dynamics simulations have been employed by biologists to study the protein folding problem. Such simulations have resulted in a large number of protein folding trajector...
Hui Yang, Saurabh Gupte, Runtang Wang, Rahul Parte
SCFBM
2008
92views more  SCFBM 2008»
14 years 9 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