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  • Currently displaying 15261 - 15280 of 30398 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
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
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
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
D FRENKEL
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
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
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, Crystal Engineering and Materials
(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 beta-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