Absolute FKBP binding affinities obtained via nonequilibrium unbinding simulations

Protein-Protein Interaction Investigated by Steered Molecular Dynamics: The TCR-pMHC Complex

(2008) Michel A. Cuendet et al.   BIOPHYSICAL JOURNAL

Ligand Escape Pathways and (Un)Binding Free Energy Calculations for the Hexameric Insulin-Phenol Complex

(2008) Harish Vashisth et al.   BIOPHYSICAL JOURNAL

Potential of mean force calculations of ligand binding to ion channels from Jarzynski’s equality and umbrella sampling

(2008) Turgut Baştuğ et al.   JOURNAL OF CHEMICAL PHYSICS

Calculation of Absolute Ligand Binding Free Energy to a Ribosome-Targeting Protein as a Function of Solvent Model

(2008) Michael S. Lee et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Optimized Free Energies from Bidirectional Single-Molecule Force Spectroscopy

(2008) David D. L. Minh et al.   PHYSICAL REVIEW LETTERS

Springs and Speeds in Free Energy Reconstruction from Irreversible Single-Molecule Pulling Experiments†

(2007) David D. L. Minh et al.   JOURNAL OF PHYSICAL CHEMISTRY B