✦ LIBER ✦

Computational Methods for the Study of Enzymic Reaction Mechanisms. 1. Application to the Hydride Transfer Step in the Catalysis of Dihydrofolate Reductase

✍ Scribed by Cummins, Peter L.; Greatbanks, Stephen P.; Rendell, Alistair P.; Gready, Jill E.

Book ID: 126838759
Publisher: American Chemical Society
Year: 2002
Tongue: English
Weight: 196 KB
Volume: 106
Category: Article
ISSN: 0022-3654
DOI: 10.1021/jp021070q

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

On Transition Structures for Hydride Tra

On Transition Structures for Hydride Transfer Step: A Theoretical Study of the Reaction Catalyzed by Dihydrofolate Reductase Enzyme

✍ J. Andrés; V. Moliner; V.S. Safont; L.R. Domingo; M.T. Picher; J. Krechl 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 177 KB

A theoretical study is presented of the catalytic mechanism of dihydrofolate reductase (DHFR) enzyme based upon the characterization of the transition structure (TS) for the hydride transfer step. Analytical gradients at AM1 and PM3 semiempirical levels have been used to characterize the saddle poin

Catalytic Mechanism of Dihydrofolate Red

Catalytic Mechanism of Dihydrofolate Reductase Enzyme. A Combined Quantum-Mechanical/Molecular-Mechanical Characterization of Transition State Structure for the Hydride Transfer Step

✍ Castillo, R.; Andrés, J.; Moliner, V. 📂 Article 📅 1999 🏛 American Chemical Society 🌐 English ⚖ 154 KB

Application of experimental (FT-ICR) and

Application of experimental (FT-ICR) and theoretical (AM1) methods to the study of proton-transfer reactions for tautomerizing amidines in the gas phase

✍ R. W. Taft; E. D. Raczyńska; P. -C. Maria; I. Leito; W. Lewandowski; R. Kurg; J. 📂 Article 📅 1996 🏛 Springer 🌐 English ⚖ 132 KB

A wall jet electrode reactor and its app

A wall jet electrode reactor and its application to the study of electrode reaction mechanisms Part II: A general computational method for the mass transport problems involved

✍ P. Laevers; A. Hubin; H. Terryn; J. Vereecken 📂 Article 📅 1995 🏛 Springer 🌐 English ⚖ 678 KB

[Methods in Enzymology] Enzyme Kinetics

[Methods in Enzymology] Enzyme Kinetics and Mechanism - Part C: Intermediates, Stereochemistry, and Rate Studies Volume 87 || [31] The use of isotope effects to determine transition-state structure for enzymic reactions

✍ Wallace Cleland, W. 📂 Article 📅 1982 🏛 Elsevier 🌐 English ⚖ 1023 KB

An ab Initio Computational Molecular Orb

An ab Initio Computational Molecular Orbital Study of Radical, Protonated Radical (Radical Cation), and Carbocation Species That Have Been Proposed in Mechanisms for the Transfer Process in the Enzyme−Coenzyme B 12 -Catalyzed Dehydration of 1,2-Dihydroxyethane

✍ George, Philip; Glusker, Jenny P.; Bock, Charles W. 📂 Article 📅 1997 🏛 American Chemical Society 🌐 English ⚖ 280 KB