Large-Scale QM/MM Calculations of Electronic Excitations in Yellow Protein: Toward Petascale Level of Protein Calculations.

Marek Freindorf Matthew D. Jones Yihan Shao Jing Kong Thomas R. Furlani Large-Scale QM/MM Calculations of Electronic Excitations in Yellow Protein: Toward Petascale Level of Protein Calculations. 614-619 2007 conf/bibe/2007 BIBE http://dx.doi.org/10.1109/BIBE.2007.4375624 db/conf/bibe/bibe2007.html#FreindorfJSKF07