prepareforleap: An automated tool for fast PDB-to-parameter generation.

Daniel R. Roe Christina Bergonzo

Published in: J. Comput. Chem. (2022)

Keyphrases

input parameters
semi automated
information systems
software tools
semi automatic
parameter settings
fully automatic
computational methods
fully automated
parameter values
computer aided
database
digital libraries
database systems
image processing
data mining
real world