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Currently displaying 19701 - 19720 of 29882 publications

Equilibrium free energies from fast-switching trajectories with large time steps.

W Lechner, H Oberhofer, C Dellago, PL Geissler

Journal of Chemical Physics

(2006)

124

044113

(doi: 10.1063/1.21652874)

Solution structure of p53 core domain: structural basis for its instability.

JMP Cañadillas, H Tidow, SMV Freund, TJ Rutherford, HC Ang, AR Fersht

Proc Natl Acad Sci U S A

(2006)

103

2109

(doi: 10.1073/pnas.0510941103)

Preparation of the Neolignan Natural Product Grossamide by a Continuous-Flow Process

S Ley, I Baxendale, C Griffiths-Jones, G Tranmer

Synlett

(2006)

2006

0427

(doi: 10.1055/s-2006-926244)

Core domain interactions in full-length p53 in solution.

DB Veprintsev, SMV Freund, A Andreeva, SE Rutledge, H Tidow, JMP Cañadillas, CM Blair, AR Fersht

Proceedings of the National Academy of Sciences of the United States of America

(2006)

103

2115

(doi: 10.1073/pnas.0511130103)

Characterizing Bitterness: Identification of Key Structural Features and Development of a Classification Model

S Rodgers, RC Glen, A Bender

J Chem Inf Model

(2006)

569

(doi: 10.1021/ci0504418)

Insertion and assembly of membrane proteins via simulation.

PJ Bond, MSP Sansom

Journal of the American Chemical Society

(2006)

128

2697

(doi: 10.1021/ja0569104)

Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery.

TL Blundell, BL Sibanda, RW Montalvao, S Brewerton, V Chelliah, CL Worth, NJ Harmer, O Davies, D Burke

Philosophical Transactions of the Royal Society B Biological Sciences

(2006)

361

413

(doi: 10.1098/rstb.2005.1800)

Mild Aerobic Oxidative Palladium (II) Catalyzed C−H Bond Functionalization: Regioselective and Switchable C−H Alkenylation and Annulation of Pyrroles

EM Beck, NP Grimster, R Hatley, MJ Gaunt

Journal of the American Chemical Society

(2006)

128

2528

(doi: 10.1021/ja058141u)

Colloidal crystals: plenty of room at the top.

D Frenkel

Nature Materials

(2006)

(doi: 10.1038/nmat1572)

Diode laser spectroscopy of the ν₂ fundamental band of cis-HOPO

PJ O’Sullivan, PA Hamilton, PB Davies, JM Turney, HF Schaefer

Journal of Molecular Spectroscopy

(2006)

235

248

(doi: 10.1016/j.jms.2005.11.013)

Spin Transitions in a Dithiazolyl Radical: Preparation, Crystal Structures, and Magnetic Properties of 3-Cyanobenzo-1,3,2-dithiazolyl, C7H3S2N2 •

A Alberola, RJ Collis, SM Humphrey, RJ Less, JM Rawson

Inorg Chem

(2006)

1903

(doi: 10.1021/ic051935p)

Simulation of single-file ion transport with the lattice Fokker-Planck equation.

S Melchionna, S Succi, J-P Hansen

Physical Review E

(2006)

017701

(doi: 10.1103/physreve.73.017701)

Synthesis of Zinc, Copper, Nickel, Cobalt, and Iron Complexes Using Tris(pyrazolyl)methane Sulfonate Ligands: A Structural Model for N,N,O Binding in Metalloenzymes

ET Papish, MT Taylor, FE Jernigan, MJ Rodig, RR Shawhan, GPA Yap, FA Jové

Inorganic Chemistry

(2006)

2242

(doi: 10.1021/ic051579a)