✦ LIBER ✦

Atomic Crystal and Molecular Dynamics Simulation Structures of Human Carbonic Anhydrase II: Insights into the Proton Transfer Mechanism †,‡

✍ Scribed by Fisher, S. Zoë; Maupin, C. Mark; Budayova-Spano, Monika; Govindasamy, Lakshmanan; Tu, Chingkuang; Agbandje-McKenna, Mavis; Silverman, David N.; Voth, Gregory A.; McKenna, Robert

Book ID: 120309544
Publisher: American Chemical Society
Year: 2007
Tongue: English
Weight: 324 KB
Volume: 46
Category: Article
ISSN: 0006-2960
DOI: 10.1021/bi062066y

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Molecular dynamics simulations of human

Molecular dynamics simulations of human carbonic anhydrase II: Insight into experimental results and the role of solvation

✍ Dongsheng Lu; Gregory A. Voth 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 262 KB 👁 1 views

In this paper, the carbonic anhydrase II (CA II) enzyme active site is modeled using ab initio calculations and molecular dynamics simulations to examine a number of important issues for the enzyme function. It is found that the Zn 2؉ ion is dominantly tetrahedrally coordinated, which agrees with X-

Modeling the structure and proton transf

Modeling the structure and proton transfer pathways of the mutant His-107-Tyr of human carbonic anhydrase II

✍ Puspita Halder, Srabani Taraphder 📂 Article 📅 2012 🏛 Springer-Verlag 🌐 English ⚖ 598 KB

Insights into the Phosphoryl-Transfer Me

Insights into the Phosphoryl-Transfer Mechanism of cAMP-Dependent Protein Kinase from Quantum Chemical Calculations and Molecular Dynamics Simulations

✍ Díaz, Natalia; Field, Martin J. 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 559 KB

Ultrahigh Resolution Crystal Structures

Ultrahigh Resolution Crystal Structures of Human Carbonic Anhydrases I and II Complexed with “Two-Prong” Inhibitors Reveal the Molecular Basis of High Affinity

✍ Jude, Kevin M.; Banerjee, Abir L.; Haldar, Manas K.; Manokaran, Sumathra; Roy, B 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 644 KB