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Currently displaying 19661 - 19680 of 29456 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)

21,

3719

(doi: 10.1093/bioinformatics/bti595)

Isolated magnetic clusters of Co(II) and Ni(II) within 3-dimensional organic frameworks of 6-mercaptonicotinic acid: Unique structural topologies based on selectivity for hard and soft coordination environments

SM Humphrey, RA Mole, M McPartlin, EJL McInnes, PT Wood

– Inorganic chemistry

(2005)

44,

5981

(doi: 10.1021/ic050768q)

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)

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)

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

– Journal of Molecular Biology

(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)

A global resource for computational chemistry.

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

– Journal of Molecular Modeling

(2005)

11,

532

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

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)

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)

61,

1149

(doi: 10.1107/S0907444905017038)

Influence of copper on the electronic properties of amorphous chalcogenides

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

– Physical Review B

(2005)

72,

020202

(doi: 10.1103/physrevb.72.020202)

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)

88,

1611

(doi: 10.1002/hlca.200590128)

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

J Hernandez-Rojas, J Breton, JMG Llorente, DJ Wales

– Chemical Physics Letters

(2005)

410,

404