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Recent Acquisitions in the Resolution of Structural Problems by NMR and Quantum Mechanical Methods

✍ Scribed by Carla Bassarello; Paola Cimino; Luigi Gomez-Paloma; Raffaele Riccio; Giuseppe Bifulco

Publisher: John Wiley and Sons
Year: 2005
Weight: 8 KB
Volume: 36
Category: Article
ISSN: 0931-7597
DOI: 10.1002/chin.200519295

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📜 SIMILAR VOLUMES

Intra- and intermolecular interactions i

Intra- and intermolecular interactions in crystals of polar molecules. A study by the mixed quantum mechanical/molecular mechanical SCMP-NDDO method

✍ György G. Ferenczy; János G. Ángyán 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 180 KB

## Abstract Stabilization energies of crystals of polar molecules were calculated with the recently developed NDDO‐SCMP method that determines the wave function of a subunit embedded in the symmetrical environment constituted by the copies of the subunit. The total stabilization energies were decom

Structure and dynamics of the M13 coat s

Structure and dynamics of the M13 coat signal sequence in membranes by multidimensional high-resolution and solid-state NMR spectroscopy

✍ Burkhard Bechinger 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 275 KB 👁 2 views

The polypeptide corresponding to the signal sequence of the M13 coat protein and the five N-terminal residues of the mature protein was prepared by solid-phase peptide synthesis with a 15N isotopic label at the alanine-12 position. Multidimensional solution NMR spectroscopy and molecular modeling ca

Isolation and Structure Determination of

Isolation and Structure Determination of Aplidinones A-C from the Mediterranean Ascidian Aplidium conicum: A Successful Regiochemistry Assignment by Quantum Mechanical 13C NMR Chemical Shift Calculations.

✍ Anna Aiello; Ernesto Fattorusso; Paolo Luciano; Alfonso Mangoni; Marialuisa Menn 📂 Article 📅 2006 🏛 John Wiley and Sons ⚖ 12 KB 👁 2 views

Isolation and Structure Determination of

Isolation and Structure Determination of Aplidinones A–C from the Mediterranean Ascidian Aplidium conicum: A Successful Regiochemistry Assignment by Quantum Mechanical 13C NMR Chemical Shift Calculations

✍ Anna Aiello; Ernesto Fattorusso; Paolo Luciano; Alfonso Mangoni; Marialuisa Menn 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 264 KB

ChemInform Abstract: Tetraazacyclotetrad

ChemInform Abstract: Tetraazacyclotetradecane Species as Models of the Polyazacrown Macrocycles: Molecular Structure and Reorganizations in Aqueous Media (pH 0-14) as Probed by NMR Spectroscopy and Computational Methods — Problems and Solutions

✍ Ryszard B. Nazarski 📂 Article 📅 2011 🏛 John Wiley and Sons ⚖ 18 KB 👁 2 views

Structure of GlyGly peptide in the cryst

Structure of GlyGly peptide in the crystalline state as studied by X-ray diffraction and solid state 13C-NMR methods

✍ T. Kameda; N. Takeda; S. Ando; I. Ando; D. Hashizume; Y. Ohashi 📂 Article 📅 1998 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 140 KB 👁 2 views

A new type of crystal of glycylglycine (GlyGly) hydrate was crystallized from an aqueous solution, and the structure of the crystal has been determined by x-ray diffraction. The crystal is monoclinic, and the space group is C2/c, with the cell constants of a Å 15.941(2) A ˚, b Å 4.774(2) A ˚, c Å 19