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- Currently displaying 14601 - 14620 of 29614 publications
Extracting elements of molecular structure from the all-particle wave function.
The Journal of Chemical Physics
(2011)
135
204302
(doi: 10.1063/1.3662487)
Influence of H-Bond Strength on Chelate Cooperativity
Journal of the American Chemical Society
(2011)
133
20416
(doi: 10.1021/ja208330y)
Compaction and binding properties of the intrinsically disordered C-terminal domain of Henipavirus nucleoprotein as unveiled by deletion studies.
Molecular Omics
(2011)
8
392
(doi: 10.1039/c1mb05401e)
Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development.
PloS one
(2011)
6
e27518
(doi: 10.1371/journal.pone.0027518)
Gas-phase formation of large neutral alkaline-earth metal tryptophan complexes
J Am Soc Mass Spectrom
(2011)
19
1021
(doi: 10.1016/j.jasms.2008.04.028)
Label-free fluorescence detection of the depurination activity of ribosome inactivating protein toxins
Chem Commun (Camb)
(2011)
48
501
(doi: 10.1039/c1cc16667k)
Continuous Preparation of Arylmagnesium Reagents in Flow with Inline IR Monitoring
Organic Process Research & Development
(2011)
16
1102
(doi: 10.1021/op200275d)
The influence of overconstraint on the spatial distribution of mobility in an amorphous network
The Journal of Chemical Physics
(2011)
135
194505
(doi: 10.1063/1.3662073)
Pure vibrational dephasing of triiodide in liquids and glasses
Modern Physics Letters A
(2011)
18
406
(doi: 10.1142/s0217732303010570)
Lattice Fokker-Planck equation
International Journal of Modern Physics C
(2011)
17
459
(doi: 10.1142/S0129183106008613)
Activating Water: Important Effects of Non-leaving Groups on the Hydrolysis of Phosphate Triesters
Chemistry
(2011)
17
14996
(doi: 10.1002/chem.201101926)
High‐efficiency InGaN/GaN quantum well structures on large area silicon substrates
Physica Status Solidi A Applications and Materials Science
(2011)
209
13
(doi: 10.1002/pssa.201100129)
Fast Algorithms for Slow Processes in Lattice-Gas Cellular Automata
International Journal of Modern Physics C
(2011)
02
66
(doi: 10.1142/s0129183191000081)
From in silico target prediction to multi-target drug design: Current databases, methods and applications
Journal of Proteomics
(2011)
74
2554
(doi: 10.1016/j.jprot.2011.05.011)
Coarse Graining Escherichia coli Chemotaxis: From Multi-flagella Propulsion to Logarithmic Sensing
Adv Exp Med Biol
(2011)
736
381
(doi: 10.1007/978-1-4419-7210-1_22)
Theoretical studies of nickel atoms and nickel(II) ions coordinated with CO and BF ligands
Chemical Physics Letters
(2011)
516
146
(doi: 10.1016/j.cplett.2011.09.091)
Towards crystal structure prediction of complex organic compounds--a report on the fifth blind test.
Acta crystallographica. Section B, Structural science
(2011)
67
535
(doi: 10.1107/S0108768111042868)
Reentrant transition in the shear viscosity of dilute rigid-rod dispersions
Physical Review E
(2011)
84
051404
(doi: 10.1103/PhysRevE.84.051404)
Design, synthesis, and qualitative structure-activity evaluations of novel β-secretase inhibitors as potential Alzheimer's drug leads.
Journal of Medicinal Chemistry
(2011)
54
8373
(doi: 10.1021/jm201181f)
Application of the solid state NMR to the study of the alcohol/alkane mixtures adsorption onto graphite.
Solid State Nucl Magn Reson
(2011)
40
138
(doi: 10.1016/j.ssnmr.2011.11.002)