Jianyu Zhang

发表

How Large Should the QM Region Be in QM/MM Calculations? The Case of Catechol O-Methyltransferase

Heather J. Kulik, Todd J. Martínez, J. Klinman, 2015, The journal of physical chemistry. B.

Enzymatic methyl transfer: role of an active site residue in generating active site compaction that correlates with catalytic efficiency.

J. Klinman, Judith P. Klinman, Jianyu Zhang, 2011, Journal of the American Chemical Society.