𝔖 Bobbio Scriptorium

✦ LIBER ✦

Molecular Dynamics Simulations of Ground and Transition States for the Hydride Transfer from Formate to NAD + in the Active Site of Formate Dehydrogenase

✍ Scribed by Torres, Rhonda A.; Schiøtt, Birgit; Bruice, Thomas C.

Book ID: 126936507
Publisher: American Chemical Society
Year: 1999
Tongue: English
Weight: 292 KB
Volume: 121
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja9912731

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Theoretical Investigation of the Hydride

Theoretical Investigation of the Hydride Transfer from Formate to NAD + and the Implications for the Catalytic Mechanism of Formate Dehydrogenase

✍ Schiøtt, Birgit; Zheng, Ya-Jun; Bruice, Thomas C. 📂 Article 📅 1998 🏛 American Chemical Society 🌐 English ⚖ 188 KB

Molecular Dynamics Simulations of Ground

Molecular Dynamics Simulations of Ground and Transition States for the S N 2 Displacement of Cl - from 1,2-Dichloroethane at the Active Site of Xanthobacter autotrophicus Haloalkane Dehalogenase †

✍ Lightstone, Felice C.; Zheng, Ya-Jun; Bruice, Thomas C. 📂 Article 📅 1998 🏛 American Chemical Society 🌐 English ⚖ 280 KB

Comparison of the Dynamics for Ground-St

Comparison of the Dynamics for Ground-State and Transition-State Structures in the Active Site of Catechol O -Methyltransferase

✍ Lau, Edmond Y.; Bruice, Thomas C. 📂 Article 📅 2000 🏛 American Chemical Society 🌐 English ⚖ 174 KB

Determination of the Active Site Protona

Determination of the Active Site Protonation State of β-Secretase from Molecular Dynamics Simulation and Docking Experiment: Implications for Structure-Based Inhibitor Design

✍ Park, Hwangseo; Lee, Sangyoub 📂 Article 📅 2003 🏛 American Chemical Society 🌐 English ⚖ 547 KB

A Transition in the Ni 2+ Complex Struct

A Transition in the Ni 2+ Complex Structure from Six- to Four-Coordinate upon Formation of Ion Pair Species in Supercritical Water: An X-ray Absorption Fine Structure, Near-Infrared, and Molecular Dynamics Study

✍ Hoffmann, Markus M.; Darab, John G.; Palmer, Bruce J.; Fulton, John L. 📂 Article 📅 1999 🏛 American Chemical Society 🌐 English ⚖ 173 KB

Study of binary and ternary metal comple

Study of binary and ternary metal complexes containing the sulfato ligand: molecular models for selected non-catalytic sites in sulfurylaseElectronic supplementary information (ESI) available: Full listings of atomic coordinates from X-ray diffraction experiments and from molecular modelling calculations, atomic thermal displacements, bond lengths and bond angles, and computed heat of formation and heat of reaction for selected molecules and reactions, Figure relevant to selected computed structures, and Figure relevant to vibrational modes. See http://www.rsc.org/suppdata/dt/b3/b302779a/

✍ Tamasi, Gabriella; Cini, Renzo 📂 Article 📅 2003 🏛 Royal Society of Chemistry 🌐 English ⚖ 337 KB