Force Field Optimization using Dynamics and Ensemble Averaged Data: Vibrational Spectra and Relaxation in Bound MbCO.

Fri, 01 Jan 2010 00:00:00 +0100

Michael Devereux , Markus Meuwly:
Force Field Optimization using Dynamics and Ensemble Averaged Data: Vibrational Spectra and Relaxation in Bound MbCO. J. Chem. Inf. Model. 50(3): 349-357 (2010)