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  • Currently displaying 15081 - 15100 of 30214 publications
Author(s)
Publication title
Journal Name
Publication year
Monte Carlo simulations
D FRENKEL
Classical and Quantum Dynamics in Condensed Phase Simulations
(2011)
Pure vibrational dephasing of triiodide in liquids and glasses
FS ZHANG, RM LYNDEN-BELL
Modern Physics Letters A
(2011)
18
Lattice Fokker-Planck equation
S SUCCI, S MELCHIONNA, J-P HANSEN
International Journal of Modern Physics C
(2011)
17
High-efficiency InGaN/GaN quantum well structures on large area silicon substrates
D Zhu, C McAleese, M Häberlen, MJ Kappers, N Hylton, P Dawson, G Radtke, M Couillard, GA Botton, S Sahonta, CJ Humphreys
Physica Status Solidi A Applications and Materials Science
(2011)
209
Activating Water: Important Effects of Non‐leaving Groups on the Hydrolysis of Phosphate Triesters
AJ Kirby, M Medeiros, PSM Oliveira, ES Orth, TAS Brandão, EH Wanderlind, A Amer, NH Williams, F Nome
Chemistry – A European Journal
(2011)
17
Fast Algorithms for Slow Processes in Lattice-Gas Cellular Automata
D FRENKEL
International Journal of Modern Physics C
(2011)
02
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)
74
Theoretical studies of nickel atoms and nickel(II) ions coordinated with CO and BF ligands
SAC McDowell, AD Buckingham
Chemical Physics Letters
(2011)
516
Coarse Graining Escherichia coli Chemotaxis: From Multi-flagella Propulsion to Logarithmic Sensing
T Curk, F Matthäus, Y Brill-Karniely, J Dobnikar
Advances in experimental medicine and biology
(2011)
736
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
(2011)
67
Reentrant transition in the shear viscosity of dilute rigid-rod dispersions
H Kobayashi, R Yamamoto
Physical Review E
(2011)
84
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
J Med Chem
(2011)
54
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)
22
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)
40
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)
29
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
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)
76
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)
44
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)
14
Chain-growth polymerization of unusual anion-radical monomers based on naphthalene diimide: A new route to well-defined n-type conjugated copolymers
V Senkovskyy, R Tkachov, H Komber, M Sommer, M Heuken, B Voit, WTS Huck, V Kataev, A Petr, A Kiriy
J Am Chem Soc
(2011)
133