enzymes

Hybrid quantum/classical path integral approach for simulation of hydrogen transfer reactions in enzymes

89. Q. Wang and S. Hammes-Schiffer, “Hybrid quantum/classical path integral approach for simulation of hydrogen transfer reactions in enzymes,” J. Chem. Phys. 125, 184102 (2006).

Quantum-classical simulation methods for hydrogen transfer in enzymes: A case study of dihydrofolate reductase

63. S. Hammes-Schiffer, “Quantum-classical simulation methods for hydrogen transfer in enzymes: A case study of dihydrofolate reductase,” Curr. Opin. Struct. Biol. 14, 192-201 (2004).