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ALGORITHMICA
2007
70views more  ALGORITHMICA 2007»
13 years 4 months ago
Sampling Conformation Space to Model Equilibrium Fluctuations in Proteins
This paper proposes the Protein Ensemble Method (PEM) to model equilibrium fluctuations in proteins where fragments of the protein polypeptide chain can move independently of one ...
Amarda Shehu, Cecilia Clementi, Lydia E. Kavraki
ICCS
2009
Springer
13 years 2 months ago
A Population-Based Approach for Diversified Protein Loop Structure Sampling
Protein loop structure modeling is regarded as a mini protein folding problem with significant scientific importance. Efficiently sampling the loop conformation space is a key step...
Yaohang Li
BMCBI
2008
146views more  BMCBI 2008»
13 years 4 months ago
Can molecular dynamics simulations help in discriminating correct from erroneous protein 3D models?
Background: Recent approaches for predicting the three-dimensional (3D) structure of proteins such as de novo or fold recognition methods mostly rely on simplified energy potentia...
Jean-François Taly, Antoine Marin, Jean-Fra...
BMCBI
2010
133views more  BMCBI 2010»
13 years 4 months ago
Integrated prediction of one-dimensional structural features and their relationships with conformational flexibility in helical
Background: Many structural properties such as solvent accessibility, dihedral angles and helix-helix contacts can be assigned to each residue in a membrane protein. Independent s...
Shandar Ahmad, Yumlembam Hemjit Singh, Yogesh Paud...
BMCBI
2010
117views more  BMCBI 2010»
13 years 4 months ago
Beyond rotamers: a generative, probabilistic model of side chains in proteins
Background: Accurately covering the conformational space of amino acid side chains is essential for important applications such as protein design, docking and high resolution stru...
Tim Harder, Wouter Boomsma, Martin Paluszewski, Je...