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David Koes edited APBS_cite_Baker_2001_performs_solvation__.tex
about 8 years ago
Commit id: 30ec45d23d79d04bf13aeff08690bf47e25eff59
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ProDy \cite{Bakan_2011} is a Python toolkit for analyzing proteins and includes facilities for trajectory analysis and druggability predictions using simulations of molecular probes \cite{Bakan_2012}.
ProtoMol \cite{Matthey_2004}, and the associated MDLab Python bindings \cite{Cickovski_2009}, provides an object-oriented framework for prototyping algorithms for molecular dynamics simulations and includes an interface to OpenMM.
ProtoMS \cite{Michel_2006} is a Monte Carlo biomolecular simulation program which can be used to calculate relative and absolute free energies and water placement with GCMC and JAWS methodology.
Pteros \cite{Yesylevskyy_2015} is a C++ library (with Python bindings) for reading and analyzing molecular dynamics trajectories.