✦ LIBER ✦

Ab Initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulation of Enzyme Catalysis: The Case of Histone Lysine Methyltransferase SET7/9

✍ Scribed by Wang, Shenglong; Hu, Po; Zhang, Yingkai

Book ID: 125974246
Publisher: American Chemical Society
Year: 2007
Tongue: English
Weight: 213 KB
Volume: 111
Category: Article
ISSN: 0022-3654
DOI: 10.1021/jp067147i

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Catalytic Mechanism and Product Specific

Catalytic Mechanism and Product Specificity of the Histone Lysine Methyltransferase SET7/9: An ab Initio QM/MM-FE Study with Multiple Initial Structures

✍ Hu, Po; Zhang, Yingkai 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 223 KB

New Insights into the Jahn–Teller Effect

New Insights into the Jahn–Teller Effect through ab initio Quantum-Mechanical/Molecular-Mechanical Molecular Dynamics Simulations of CuII in Water

✍ Christian F. Schwenk; Bernd M. Rode 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 260 KB 👁 2 views

## Abstract The Cu^II^ hydration shell structure has been studied by means of classical molecular dynamics (MD) simulations including three‐body corrections and hybrid quantum‐mechanical/molecular‐mechanical (QM/MM) molecular dynamics (MD) simulations at the Hartree–Fock level. The copper(II) ion i