Login / Signup
Free energy perturbation and molecular dynamics calculations of copper binding to azurin.
Matteo Pappalardo
Danilo Milardi
Domenico M. Grasso
Carmelo La Rosa
Published in:
J. Comput. Chem. (2003)
Keyphrases
</>
free energy
molecular dynamics
belief propagation
high performance computing
scientific data
molecular dynamics simulations
upper bound
competitive learning
fixed point
posterior distribution
approximate inference
graphical models
protein folding
message passing
fluid flow
markov random field
energy minimization