Grcarma: A fully automated task-oriented interface for the analysis of molecular dynamics trajectories

MDWeb and MDMoby: an integrated web-based platform for molecular dynamics simulations

(2012) Adam Hospital et al.   BIOINFORMATICS

CHARMM-GUI Ligand Binder for Absolute Binding Free Energy Calculations and Its Application

(2012) Sunhwan Jo et al.   Journal of Chemical Information and Modeling

MDTRA: A molecular dynamics trajectory analyzer with a graphical user interface

(2012) Alexander V. Popov et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Molecular dynamics simulations and drug discovery

(2011) Jacob D Durrant et al.   BMC BIOLOGY

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Molecular simulations of protein dynamics: new windows on mechanisms in biology

(2008) Guy G Dodson et al.   EMBO REPORTS