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  • Currently displaying 15481 - 15500 of 30639 publications
Author(s)
Publication title
Journal Name
Publication year
Solvent Additive Control of Morphology and Crystallization in Semiconducting Polymer Blends
X Liu, S Huettner, Z Rong, M Sommer, RH Friend
Advanced materials (Deerfield Beach, Fla.)
(2011)
24
peri-Dimethylamino substituent effects on proton transfer at carbon in α-naphthylacetateesters: a model for mandelate racemase
RJ Delley, S Bandyopadhyay, MA Fox, C Schliehe, DRW Hodgson, F Hollfelder, AJ Kirby, AC O'Donoghue
Organic & biomolecular chemistry
(2011)
10
Influence of H-Bond Strength on Chelate Cooperativity
CA Hunter, MC Misuraca, SM Turega
J Am Chem Soc
(2011)
133
Compaction and binding properties of the intrinsically disordered C-terminal domain of Henipavirus nucleoprotein as unveiled by deletion studies
D Blocquel, J Habchi, A Gruet, S Blangy, S Longhi
Molecular BioSystems
(2011)
8
Extracting elements of molecular structure from the all-particle wave function
E Mátyus, J Hutter, U Müller-Herold, M Reiher
The Journal of Chemical Physics
(2011)
135
Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development
GJP van Westen, JK Wegner, P Geluykens, L Kwanten, I Vereycken, A Peeters, AP Ijzerman, HWT van Vlijmen, A Bender
PLoS One
(2011)
6
Gas-phase formation of large neutral alkaline-earth metal tryptophan complexes
M Marksteiner, P Haslinger, H Ulbricht, M Sclafani, H Oberhofer, C Dellago, M Arndt
J Am Soc Mass Spectrom
(2011)
19
Label-free fluorescence detection of the depurination activity of ribosome inactivating protein toxins.
AA Tanpure, P Patheja, SG Srivatsan
Chemical communications (Cambridge, England)
(2011)
48
Continuous Preparation of Arylmagnesium Reagents in Flow with Inline IR Monitoring
T Brodmann, P Koos, A Metzger, P Knochel, SV Ley
Organic Process Research & Development
(2011)
16
The influence of overconstraint on the spatial distribution of mobility in an amorphous network
VK de Souza, P Harrowell
Journal of Chemical Physics
(2011)
135
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)
(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)
2
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
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
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 Crystallogr B
(2011)
67