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Currently displaying 19081 - 19100 of 29882 publications

The tubulin-bound conformation of discodermolide derived by NMR studies in solution supports a common pharmacophore model for epothilone and discodermolide.

VM Sánchez-Pedregal, K Kubicek, J Meiler, I Lyothier, I Paterson, T Carlomagno

Angewandte Chemie International Edition

(2006)

7388

(doi: 10.1002/anie.200602793)

A Comparison of the Folding of Two Knotted Proteins: YbeA and YibK

AL Mallam, SE Jackson

Journal of molecular biology

(2006)

366

650

(doi: 10.1016/j.jmb.2006.11.014)

Cis- andtrans-bis(2-cyanoethylsulfanyl)(decane-1,10-diyldithio)tetrathiafulvalene

S Nygaard, AH Flood, JO Jeppesen, AD Bond

Acta Crystallogr C

(2006)

o677

(doi: 10.1107/S0108270106041114)

Energy transfer in thermal and hyperthermal collisions between CN(X 2 Σ + , v = 2) in selected rotational levels ( N i = 0, 1, 6, 10, 15 and 20) and N 2

RV Olkhov, IWM Smith

Physical Chemistry Chemical Physics

(2006)

5643

(doi: 10.1039/b612351a)

Real-time observation of nonadiabatic surface dynamics: The first picosecond in the dissociation of NO on iridium

IM Lane, DA King, ZP Liu, H Arnolds

Physical Review Letters

(2006)

(doi: 10.1103/PhysRevLett.97.186105)

Transmembrane helix-helix interactions: comparative simulations of the glycophorin a dimer.

JM Cuthbertson, PJ Bond, MSP Sansom

Biochemistry

(2006)

14298

(doi: 10.1021/bi0610911)

Exploring cocrystal -: cocrystal reactivity via liquid-assisted grinding:: the assembling of racemic and dismantling of enantiomeric cocrystals

T Friscić, L Fábián, JC Burley, W Jones, WDS Motherwell

Chem Commun (Camb)

(2006)

5009

(doi: 10.1039/b613073a)

Metal Chelate Formation Using a Task-Specific Ionic Liquid

JR Harjani, T Friscić, LR MacGillivray, RD Singer

Inorganic Chemistry

(2006)

10025

(doi: 10.1021/ic061479k)

Simulating Self-Assembly of ZnS Nanoparticles into Mesoporous Materials

DC Sayle, BC Mangili, J Klinowski, TXT Sayle

J Am Chem Soc

(2006)

128

15283

(doi: 10.1021/ja0650697)

Chapter 9 Molecular Similarity: Advances in Methods, Applications and Validations in Virtual Screening and QSAR.

A Bender, JL Jenkins, Q Li, SE Adams, EO Cannon, RC Glen

Annual reports in computational chemistry

(2006)

141

(doi: 10.1016/S1574-1400(06)02009-3)

Geometry, energetics, and dynamics of hydrogen bonds in proteins: Structural information derived from NMR scalar couplings

J Gsponer, H Hopearuoho, A Cavalli, CM Dobson, M Vendruscolo

Journal of the American Chemical Society

(2006)

128

15127

(doi: 10.1021/ja0614722)

Amphiphilic model conetworks based on cross-linked star copolymers of benzyl methacrylate and 2-(dimethylamino)ethyl methacrylate: synthesis, characterization, and DNA adsorption studies.

DS Achilleos, TK Georgiou, CS Patrickios

Biomacromolecules

(2006)

3396

(doi: 10.1021/bm060699m)

The surface structure of ionic liquids: comparing simulations with x-ray measurements.

E Sloutskin, RM Lynden-Bell, S Balasubramanian, M Deutsch

The Journal of Chemical Physics

(2006)

125

174715

(doi: 10.1063/1.2361289)

A novel, sensitive potentiometric hydrocarbon sensor for high-vacuum applications.

G Kyriakou, DJ Davis, RB Grant, MS Tikhov, A Keen, P Pakianathan, RM Lambert

J Phys Chem B

(2006)

110

24571

(doi: 10.1021/jp064635h)

Mechanically induced generation of counterions inside surface-grafted charged macromolecular films: towards enhanced mechanotransduction in artificial systems.

O Azzaroni, B Trappmann, P van Rijn, F Zhou, B Kong, WTS Huck

Angewandte Chemie International Edition

(2006)

7440

(doi: 10.1002/anie.200602666)