✦ LIBER ✦

Theoretical studies on the magnetic interaction and reversible dioxygen binding of the active site in hemocyanin

✍ Scribed by Yu Takano; Shigehiro Kubo; Taku Onishi; Hiroshi Isobe; Yasunori Yoshioka; Kizashi Yamaguchi

Book ID: 108312207
Publisher: Elsevier Science
Year: 2001
Tongue: English
Weight: 392 KB
Volume: 335
Category: Article
ISSN: 0009-2614
DOI: 10.1016/s0009-2614(01)00067-7

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Theoretical studies on substrate binding

Theoretical studies on substrate binding to the active site of carbonic anhydrase

✍ Andrzej Sawaryn; W. Andrzej Sokalski 📂 Article 📅 1979 🏛 John Wiley and Sons 🌐 English ⚖ 299 KB

## Abstract The role of some amino acids and metal ions in the catalytic activity of carbonic anhydrase (carbonate dehydratase EC 4.2.1.1) has been investigated. The additional stabilization of the transition state complex was used as the qualitative measure of the effect of molecular surrounding o

An ab initio study of the dioxygen bindi

An ab initio study of the dioxygen binding site of hemocyanin: A comparison between CASSCF, CASPT2, and DFT approaches

✍ Fernando Bernardi; Andrea Bottoni; Rita Casadio; Piero Fariselli; Adelio Rigo 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 931 KB

Accurate ab initio CASSCF, CASFT2, and DFT computations have been performed on three different model systems which emulate the oxygenated active site of hemocyanin (a Cu+-Cu+ dimer that binds oxygen as peroxide to form oxyhemocyanin). The three models differ in the number of the ammonia molecules (0

Model studies on the active site of carb

Model studies on the active site of carbonic anhydrase: Ligand properties and CO2 binding

✍ A. Pullman; D. Demoulin 📂 Article 📅 1979 🏛 John Wiley and Sons 🌐 English ⚖ 662 KB

Quantitative structure–activity relation

Quantitative structure–activity relationship studies on benzodiazepine receptor binding: Recognition of active sites in receptor and modelling of interaction

✍ Satya P. Gupta; Ranendra N. Saha; Veena Mulchandani 📂 Article 📅 1992 🏛 John Wiley and Sons 🌐 English ⚖ 524 KB

## Abstract A quantitative structure‐activity relationship study was carried out for the binding of a series of ‘classical’ benzodiazepines (BZs) and some β‐carbolines with BZ receptors to investigate the active sites in the latter and the nature of the binding of compounds with them. Using the Han

Substrate binding and activation in the

Substrate binding and activation in the active site of cytochromecnitrite reductase: a density functional study

✍ Dmytro Bykov; Frank Neese 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 1000 KB

Theoretical studies on the interaction o

Theoretical studies on the interaction of proteins and nucleic acid: II. The binding of α-helix to B-DNA

✍ Krystyna Zakrzewska; Richard Lavery; Bernard Pullman 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 906 KB