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Browsing by Author Parks, JM

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Showing results 1 to 4 of 4

	Title	Author(s)	Issue Date
	Hepatitis C virus NS5B polymerase: QM/MM calculations show the important role of the internal energy in ligand binding Journal:Journal of Physical Chemistry B	Parks, JM Kondru, RK Hu, H Beratan, DN Yang, W	2008
	Mechanism of cdc25b phosphatase with the small molecule substrate p-nitrophenyl phosphate from QM/MM-MFEP calculations Journal:Journal of Physical Chemistry B	Parks, JM Hu, H Rudolph, J Yang, W	2009
	A pseudobond parametrization for improved electrostatics in quantum mechanical/molecular mechanical simulations of enzymes Journal:Journal of Chemical Physics	Parks, JM Hu, H Cohen, AJ Yang, W	2008
	Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: Sequential sampling and optimization on the potential of mean force surface Journal:Journal of Chemical Physics	Hu, H Lu, Z Parks, JM Burger, SK Yang, W	2008

Showing results 1 to 4 of 4