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Publications of Author

1. Marek Freindorf, Yihan Shao, Jing Kong, Thomas R. Furlani
   Combined QM/MM Studies of Binding Effect of Cytochrome P450cam to Putidaredoxin. [Citation Graph (0, 0)][DBLP]
   BIOCOMP, 2006, pp:391-398 [Conf]
   
2. Marek Freindorf, Jiali Gao
   Optimization of the Lennard-Jones parameters for a combined ab initio quantum mechanical and molecular mechanical potential using the 3-21G basis set. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 1996, v:17, n:4, pp:386-395 [Journal]
   
3. Marek Freindorf, Yihan Shao, Thomas R. Furlani, Jing Kong
   Lennard-Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2005, v:26, n:12, pp:1270-1278 [Journal]
   
4. 
   Large-Scale QM/MM Calculations of Electronic Excitations in Yellow Protein: Toward Petascale Level of Protein Calculations. [Citation Graph (, )][DBLP]