10 search results - page 2 / 2 » Sampling Conformation Space to Model Equilibrium Fluctuation... |
BMCBI
2010
13 years 5 months ago
2010
Background: Modelling the ligand binding site of a protein is an important component of understanding proteinligand interactions and is being actively studied. Even if the side ch...
SCFBM
2008
13 years 4 months ago
2008
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...
JCC
2007
13 years 5 months ago
2007
: A recent workshop titled ‘‘Quantitative Computational Biophysics’’ at Florida State University provided an overview of the state of the art in quantitative modeling of bi...
CSB
2005
IEEE
13 years 11 months ago
2005
IEEE
As the first step toward a multi-scale, hierarchical computational approach for membrane protein structure prediction, the packing of transmembrane helices was modeled at the resi...
JCC
2006
13 years 5 months ago
2006
If a macromolecule is described by curvilinear coordinates or rigid constraints are imposed, the equilibrium probability density that must be sampled in Monte Carlo simulations in...