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  • Currently displaying 14641 - 14660 of 29639 publications
Author(s)
Publication title
Journal Name
Publication year
Extracting elements of molecular structure from the all-particle wave function.
E Mátyus, J Hutter, U Müller-Herold, M Reiher
J Chem Phys
(2011)
135
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
Influence of H-bond strength on chelate cooperativity.
CA Hunter, MC Misuraca, SM Turega
J Am Chem Soc
(2011)
133
peri-Dimethylamino substituent effects on proton transfer at carbon in α-naphthylacetate esters: a model for mandelate racemase
RJ Delley, S Bandyopadhyay, MA Fox, C Schliehe, DRW Hodgson, F Hollfelder, AJ Kirby, AC O'Donoghue
Organic and Biomolecular Chemistry
(2011)
10
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
Journal of the American Society for Mass Spectrometry
(2011)
19
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
Label-free fluorescence detection of the depurination activity of ribosome inactivating protein toxins
AA Tanpure, P Patheja, SG Srivatsan
Chem Commun (Camb)
(2011)
48
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
Lattice Fokker-Planck equation
S SUCCI, S MELCHIONNA, J-P HANSEN
International Journal of Modern Physics C
(2011)
17
Pure vibrational dephasing of triiodide in liquids and glasses
FS ZHANG, RM LYNDEN-BELL
Modern Physics Letters A
(2011)
18
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
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
Fast Algorithms for Slow Processes in Lattice-Gas Cellular Automata
B HUMPERT, A DE KORVIN
International Journal of Modern Physics C
(2011)
02
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
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
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
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