ICASSP
2011
IEEE
12 years 8 months ago
2011
IEEE
In this work a new adaptive fast variational sparse Bayesian learning (V-SBL) algorithm is proposed that is a variational counterpart of the fast marginal likelihood maximization ...
JCC
2011
12 years 11 months ago
2011
Abstract: With today’s available computer power, free energy calculations from equilibrium molecular dynamics simulations “via counting” become feasible for an increasing num...
JCC
2011
12 years 11 months ago
2011
Abstract: Wordom is a versatile, user-friendly, and efficient program for manipulation and analysis of molecular structures and dynamics. The following new analysis modules have b...
JCC
2008
13 years 3 months ago
2008
: The prediction of the binding free energy between a ligand and a protein is an important component in the virtual screening and lead optimization of ligands for drug discovery. T...
BMCBI
2004
13 years 4 months ago
2004
Background: A detailed understanding of an RNA's correct secondary and tertiary structure is crucial to understanding its function and mechanism in the cell. Free energy mini...
MCS
2006
Springer
13 years 4 months ago
2006
Springer
We present a free energy lattice Boltzmann approach to modelling the dynamics of liquid drops on chemically patterned substrates. We start by describing a choice of free energy th...
MCS
2006
Springer
13 years 4 months ago
2006
Springer
For interface-tracking simulation of two-phase flows, we propose a new computational method, NS-PFM, combining Navier-Stokes (NS) equations with phase-field model (PFM). Based on ...
JAIR
2006
13 years 4 months ago
2006
Loopy and generalized belief propagation are popular algorithms for approximate inference in Markov random fields and Bayesian networks. Fixed points of these algorithms have been...
BMCBI
2006
13 years 4 months ago
2006
Background: The identification of a consensus RNA motif often consists in finding a conserved secondary structure with minimum free energy in an ensemble of aligned sequences. How...
CPHYSICS
2008
13 years 4 months ago
2008
We derive the bias function that minimizes the statistical error of free energy differences calculated in work-biased fast-switching simulations. The optimum bias function is comp...