tCONCOORD-GUI: Visually supported conformational sampling of bioactive molecules.

Daniel Seeliger Bert L. de Groot

Published in: J. Comput. Chem. (2009)

Keyphrases

user friendly
user interface
monte carlo
graphical user interface
data sets
parameter space
random sampling
low energy
sample size
sampling strategy
graphical user interfaces
coarse grained
protein folding
sampled data
chemical reactions