Quantum mechanics/molecular mechanics (QM/MM) methods offer a very appealing option
for the computational study of enzymatic reaction mechanisms, by separating the problem …

Quantum mechanics/molecular mechanics (QM/MM) methods are presently a well‐
established alternative for the study of enzymatic reaction mechanisms. They enable the …

Infrared multiple-photon dissociation (IR-MPD) spectroscopy has been applied to singly-
charged complexes involving the transition metals Ag+ and Zn2+ with the aromatic amino …

Computational methodologies are playing increasingly important roles in elucidating and
presenting the complete and detailed mechanisms of enzymatic reactions because of their …

Zinc-dependent histone deacetylase 8 (HDAC8) catalyzes the removal of acetyl moieties
from histone tails, and is critically involved in regulating chromatin structure and gene …

Zinc is the second most abundant transition element in biology and the only metal known to
be represented in enzymes from each one of the six classes established by the International …

Farnesyltransferase (FTase) is a zinc enzyme that has been the subject of particular
attention in anti-cancer research. This enzyme promotes the addition of a farnesyl group …

Metal ions are indispensable for maintaining the structural stability and catalytic activity of
metalloproteins. Molecular modeling studies of such proteins with force fields, however, are …

It is of significant biological interest and medical importance to develop class-and isoform-
selective histone deacetylase (HDAC) modulators. The impact of the linker component on …

Much of our current evidence concerning of the role of calcium (Ca2+) as a second
messenger comes from its interaction with fluorescent probes; however, many Ca2+ probes …