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  • Currently displaying 14601 - 14620 of 29614 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
The Journal of Chemical Physics
(2011)
135
Influence of H-Bond Strength on Chelate Cooperativity
CA Hunter, MC Misuraca, SM Turega
Journal of the American Chemical Society
(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 Omics
(2011)
8
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
Chem Commun (Camb)
(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
The Journal of Chemical Physics
(2011)
135
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
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
(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
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
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
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 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
Journal of Medicinal Chemistry
(2011)
54
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