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  • Currently displaying 15781 - 15800 of 30936 publications
Author(s)
Publication title
Journal Name
Publication year
Monte Carlo simulations
D FRENKEL
Classical and Quantum Dynamics in Condensed Phase Simulations
(2011)
The influence of overconstraint on the spatial distribution of mobility in an amorphous network
VK de Souza, P Harrowell
The Journal of chemical physics
(2011)
135
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
Adv Exp Med Biol
(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
Phys Rev E Stat Nonlin Soft Matter Phys
(2011)
84
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)
40
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)
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
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
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
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
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
Rv2607 from Mycobacterium tuberculosis Is a Pyridoxine 5′-Phosphate Oxidase with Unusual Substrate Specificity
EH Mashalidis, T Mukherjee, P Sledź, D Matak-Vinković, H Boshoff, C Abell, CE Barry
PLoS ONE
(2011)
6
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)
11
Exploring (Ph2PCH2CH2)2E Ligand Space (E = O, S, PPh) in RhI Alkene Complexes as Potential Hydroacylation Catalysts
SD Pike, RJ Pawley, AB Chaplin, AL Thompson, JA Hooper, MC Willis, AS Weller
European Journal of Inorganic Chemistry
(2011)
2011
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
Journal of the American Chemical Society
(2011)
133
Chapter 2
AD Bond
(2011)