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Currently displaying 14581 - 14600 of 29917 publications

From in silico target prediction to multi-target drug design: Current databases, methods and applications

A Koutsoukas, B Simms, J Kirchmair, PJ Bond, AV Whitmore, S Zimmer, MP Young, JL Jenkins, M Glick, RC Glen, A Bender

Journal of Proteomics

(2011)

2554

(doi: 10.1016/j.jprot.2011.05.011)

Towards crystal structure prediction of complex organic compounds - a report on the fifth blind test

DA Bardwell, CS Adjiman, YA Arnautova, E Bartashevich, SXM Boerrigter, DE Braun, AJ Cruz-Cabeza, GM Day, RG Della Valle, GR Desiraju, BP van Eijck, JC Facelli, MB Ferraro, D Grillo, M Habgood, DWM Hofmann, F Hofmann, KVJ Jose, PG Karamertzanis, AV Kazantsev, J Kendrick, LN Kuleshova, FJJ Leusen, AV Maleev, AJ Misquitta, S Mohamed, RJ Needs, MA Neumann, D Nikylov, AM Orendt, R Pal, CC Pantelides, CJ Pickard, LS Price, SL Price, HA Scheraga, J van de Streek, TS Thakur, S Tiwari, E Venuti, IK Zhitkov

Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

(2011)

535

(doi: 10.1107/S0108768111042868)

Application of the solid state NMR to the study of the alcohol/alkane mixtures adsorption onto graphite

MD Alba, MA Castro, SM Clarke, S Medina, L Messe, C Millán

Solid State Nuclear Magnetic Resonance

(2011)

138

(doi: 10.1016/j.ssnmr.2011.11.002)

Design, synthesis, and qualitative structure-activity evaluations of novel β-secretase inhibitors as potential Alzheimer's drug leads.

TH Al-Tel, MH Semreen, RA Al-Qawasmeh, MF Schmidt, R El-Awadi, M Ardah, R Zaarour, SN Rao, O El-Agnaf

Journal of medicinal chemistry

(2011)

8373

(doi: 10.1021/jm201181f)

Reentrant transition in the shear viscosity of dilute rigid-rod dispersions.

H Kobayashi, R Yamamoto

Physical review. E, Statistical, nonlinear, and soft matter physics

(2011)

051404

(doi: 10.1103/PhysRevE.84.051404)

Efficient Cellular Delivery of β-Galactosidase Mediated by NrTPs, a New Family of Cell-Penetrating Peptides

M Rodrigues, BG de la Torre, G Rádis-Baptista, NC Santos, D Andreu

Bioconjug Chem

(2011)

2339

(doi: 10.1021/bc200421z)

Application of the solid state NMR to the study of the alcohol/alkane mixtures adsorption onto graphite.

MD Alba, MA Castro, SM Clarke, S Medina, L Messe, C Millán

Solid State Nucl Magn Reson

(2011)

138

(doi: 10.1016/j.ssnmr.2011.11.002)

Dephosphorylation reactions with deferoxamine, a potential chemical nuclease.

ES Orth, M Medeiros, T Bortolotto, H Terenzi, AJ Kirby, F Nome

The Journal of Organic Chemistry

(2011)

10345

(doi: 10.1021/jo202074y)

Direct and continuous fluorescence-based measurements of Pyrococcus horikoshii DNA N-6 adenine methyltransferase activity

MD Maynard-Smith, JC McKelvie, RJ Wood, JE Harmer, RT Ranasinghe, CL Williams, DM Coomber, AF Stares, PL Roach

Analytical Biochemistry

(2011)

418

204

(doi: 10.1016/j.ab.2011.07.023)

Ring Walking versus Trapping of Nickel(0) during Kumada Catalyst Transfer Polycondensation Using Externally Initiated Electron-Accepting Thiophene–Benzothiadiazole–Thiophene Precursors

H Komber, V Senkovskyy, R Tkachov, K Johnson, A Kiriy, WTS Huck, M Sommer

Macromolecules

(2011)

9164

(doi: 10.1021/ma2018827)

Probing biomolecular interaction forces using an anharmonic acoustic technique for selective detection of bacterial spores

SK Ghosh, VP Ostanin, CL Johnson, CR Lowe, AA Seshia

Biosensors and Bioelectronics

(2011)

145

(doi: 10.1016/j.bios.2011.08.008)

XANES and XPS investigations of the local structure and final-state effects in amorphous metal silicates: (ZrO₂)_x(TiO₂)_y(SiO₂)_1−x−y

MW Gaultois, AP Grosvenor

Phys Chem Chem Phys

(2011)

205

(doi: 10.1039/c1cp22717c)

Future impact of non-land based traffic emissions on atmospheric ozone and OH - an optimistic scenario and a possible mitigation strategy

Ø Hodnebrog, TK Berntsen, O Dessens, M Gauss, V Grewe, ISA Isaksen, B Koffi, G Myhre, D Olivié, MJ Prather, JA Pyle, F Stordal, S Szopa, Q Tang, P van Velthoven, JE Williams, K Ødemark

Atmospheric Chemistry and Physics

(2011)

11293

(doi: 10.5194/acp-11-11293-2011)

Computational Approaches in Cheminformatics and Bioinformatics

R Guha, A Bender

Computational Approaches in Cheminformatics and Bioinformatics

(2011)

(doi: 10.1002/9781118131411)

Characterizing molecular motion in H2O and H3O+ with dynamical instability statistics.

JR Green, TS Hofer, RS Berry, DJ Wales

The Journal of Chemical Physics