Papers: 10.1039/c5sc02678d

https://doi.org/10.1039/c5sc02678d

Accurate calculation of the absolute free energy of binding for drug molecules

Cited by: 229
Author(s): Matteo Aldeghi, Alexander Heifetz, Michael J. Bodkin, S. Knapp, Philip C. Biggin
Published: over 10 years ago

Software Mentions 2

pypi: acpype
ACPYPE - AnteChamber PYthon Parser interfacE
Papers that mentioned: 32
Very Likely Science (100)
pypi: pymbar
Python implementation of the multistate Bennett acceptance ratio (MBAR) method
Papers that mentioned: 12
Very Likely Science (100)