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- Currently displaying 14121 - 14140 of 29473 publications
Extracting elements of molecular structure from the all-particle wave function.
– Journal of Chemical Physics
(2011)
135,
204302
(doi: 10.1063/1.3662487)
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)
Solvent additive control of morphology and crystallization in semiconducting polymer blends.
– Advanced Materials
(2011)
24,
669
(doi: 10.1002/adma.201103097)
Compaction and binding properties of the intrinsically disordered C-terminal domain of Henipavirus nucleoprotein as unveiled by deletion studies.
– Mol. BioSyst.
(2011)
8,
392
(doi: 10.1039/c1mb05401e)
Influence of H-bond strength on chelate cooperativity
– Journal of the American Chemical Society
(2011)
133,
20416
(doi: 10.1021/ja208330y)
Polyglycerol-derived amphiphiles for the solubilization of single-walled carbon nanotubes in water: A structure-property study
– Chemphyschem
(2011)
13,
203
(doi: 10.1002/cphc.201100691)
peri-Dimethylamino substituent effects on proton transfer at carbon in alpha-naphthylacetate esters: a model for mandelate racemase
– Organic & Biomolecular Chemistry
(2011)
10,
590
(doi: 10.1039/c1ob06525d)
Continuous Preparation of Arylmagnesium Reagents in Flow with Inline IR Monitoring
– Organic Process Research & Development
(2011)
16,
1102
(doi: 10.1021/op200275d)
Label-free fluorescence detection of the depurination activity of ribosome inactivating protein toxins
– Chem Commun (Camb)
(2011)
48,
501
(doi: 10.1039/c1cc16667k)
The influence of overconstraint on the spatial distribution of mobility in an amorphous network.
– 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)
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)
Activating Water: Important Effects of Non-leaving Groups on the Hydrolysis of Phosphate Triesters
– Chemistry – A European Journal
(2011)
17,
14996
(doi: 10.1002/chem.201101926)
Lattice Fokker-Planck equation
– International Journal of Modern Physics C
(2011)
17,
459
(doi: 10.1142/S0129183106008613)
Optimization and Expert Systems with Neural Networks
– International Journal of Modern Physics C
(2011)
2,
86
(doi: 10.1142/s012918319100010x)
Coarse graining escherichia coli chemotaxis: From multi-flagella propulsion to logarithmic sensing
– Advances in experimental medicine and biology
(2011)
736,
381
(doi: 10.1007/978-1-4419-7210-1_22)
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)
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)
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)