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Currently displaying 20161 - 20180 of 29870 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)

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

Inorg Chem

(2005)

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

Org Lett

(2005)

3749

(doi: 10.1021/ol051412l)

Polar organic compounds in rural PM_2.5 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

Journal of molecular biology

(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)

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)

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)

Global minima of (C-60)(n)Ca2+, (C-60)(n)F- and (C-60)(n)I- clusters

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

Chemical Physics Letters

(2005)

410

404

(doi: 10.1016/j.cplett.2005.05.075)

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)

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)