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Currently displaying 21021 - 21040 of 30729 publications

CHORAL: a differential geometry approach to the prediction of the cores of protein structures.

RW Montalvao, RE Smith, SC Lovell, TL Blundell

Bioinformatics

(2005)

3719

(doi: 10.1093/bioinformatics/bti595)

Cell-cell communication in gram-negative bacteria

M Welch, H Mikkelsen, JE Swatton, D Smith, GL Thomas, FG Glansdorp, DR Spring

Molecular Omics

(2005)

196

(doi: 10.1039/b505796p)

Directed ortho lithiation of N-alkylphenylaziridines.

V Capriati, S Florio, R Luisi, B Musio

Organic Letters

(2005)

3749

(doi: 10.1021/ol051412l)

Mechanical unfolding of TNfn3: the unfolding pathway of a fnIII domain probed by protein engineering, AFM and MD simulation.

SP Ng, RWS Rounsevell, A Steward, CD Geierhaas, PM Williams, E Paci, J Clarke

J Mol Biol

(2005)

350

776

(doi: 10.1016/j.jmb.2005.04.070)

Polar organic compounds in rural PM2.5 aerosols from K-puszta, Hungary, during a 2003 summer field campaign: Sources and diel variations

AC Ion, R Vermeylen, I Kourtchev, J Cafmeyer, X Chi, A Gelencsér, W Maenhaut, M Claeys

Atmospheric Chemistry and Physics

(2005)

1805

(doi: 10.5194/acp-5-1805-2005)

Simulation and experiment conspire to reveal cryptic intermediates and a slide from the nucleation-condensation to framework mechanism of folding.

GWN White, S Gianni, JG Grossmann, P Jemth, AR Fersht, V Daggett

J Mol Biol

(2005)

350

757

(doi: 10.1016/j.jmb.2005.05.005)

A global resource for computational chemistry

P Murray-Rust, HS Rzepa, JJP Stewart, Y Zhang

Journal of Molecular Modeling

(2005)

532

(doi: 10.1007/s00894-005-0278-1)

Structure and equation of state of interaction site models for disc-shaped lamellar colloids

DC *, J-P Hansen, L HarNau

Molecular Physics

(2005)

103

1917

(doi: 10.1080/0268970500086096)

Influence of copper on the electronic properties of amorphous chalcogenides

SI Simdyankin, M Elstner, TA Niehaus, T Frauenheim, SR Elliott

Physical Review B Condensed Matter and Materials Physics

(2005)

020202

(doi: 10.1103/physrevb.72.020202)

Global minima of (C60)nCa2+, (C 60)nF- and (C60)nI - clusters

J Hernández-Rojas, J Bretón, JMG Llorente, DJ Wales

Chem. Phys. Lett.

(2005)

410

404

(doi: 10.1016/j.cplett.2005.05.075)

Model car-exhaust catalyst studied by TPD and TP-RAIRS: Surface reactions of NO on clean and O-covered Ir {100}

S Khatua, G Held, DA King

Surface Science

(2005)

586

(doi: 10.1016/j.susc.2005.04.045)

Water and the Huisgen cycloaddition reaction: A focus on polar contributions to the transition state in the reactions of dicyano(phthalazinium) methanide with substituted styrenes and benzylidene acetones

RN Butler, AG Coyne, WJ Cunningham, EM Moloney, LA Burke

Helvetica Chimica Acta

(2005)

1611

(doi: 10.1002/hlca.200590128)

Impact of natural variation in bacterial F17G adhesins on crystallization behaviour

L Buts, A Wellens, I Van Molle, L Wyns, R Loris, M Lahmann, S Oscarson, H De Greve, J Bouckaert

Acta Crystallogr D Biol Crystallogr

(2005)

1149

(doi: 10.1107/S0907444905017038)

Effects of nanoconfinement on the morphology and reactivity of organic materials