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- Currently displaying 15781 - 15800 of 30936 publications
Monte Carlo simulations
Classical and Quantum Dynamics in Condensed Phase Simulations
(2011)
69
(doi: 10.1142/9789812839664_0004)
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)
Fast Algorithms for Slow Processes in Lattice-Gas Cellular Automata
International Journal of Modern Physics C
(2011)
02
66
(doi: 10.1142/s012918319100010x)
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)
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)
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.
Phys Rev E Stat Nonlin Soft Matter Phys
(2011)
84
051404
(doi: 10.1103/PhysRevE.84.051404)
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)
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)
Efficient Cellular Delivery of β-Galactosidase Mediated by NrTPs, a New Family of Cell-Penetrating Peptides
Bioconjug Chem
(2011)
22
2339
(doi: 10.1021/bc200421z)
Ring walking versus trapping of nickel(0) during Kumada catalyst transfer polycondensation using externally initiated electron-accepting thiophene-benzothiadiazole-thiophene precursors
Macromolecules
(2011)
44
9164
(doi: 10.1021/ma2018827)
Direct and continuous fluorescence-based measurements of Pyrococcus horikoshii DNA N-6 adenine methyltransferase activity
Analytical Biochemistry
(2011)
418
204
(doi: 10.1016/j.ab.2011.07.023)
Probing biomolecular interaction forces using an anharmonic acoustic technique for selective detection of bacterial spores
Biosensors and Bioelectronics
(2011)
29
145
(doi: 10.1016/j.bios.2011.08.008)
Dephosphorylation Reactions with Deferoxamine, A Potential Chemical Nuclease
The Journal of Organic Chemistry
(2011)
76
10345
(doi: 10.1021/jo202074y)
Rv2607 from Mycobacterium tuberculosis Is a Pyridoxine 5′-Phosphate Oxidase with Unusual Substrate Specificity
PLoS ONE
(2011)
6
e27643
(doi: 10.1371/journal.pone.0027643)
Future impact of non-land based traffic emissions on atmospheric ozone and OH - an optimistic scenario and a possible mitigation strategy
Atmospheric Chemistry and Physics
(2011)
11
11293
(doi: 10.5194/acp-11-11293-2011)
Exploring (Ph2PCH2CH2)2E Ligand Space (E = O, S, PPh) in RhI Alkene Complexes as Potential Hydroacylation Catalysts
European Journal of Inorganic Chemistry
(2011)
2011
5558
(doi: 10.1002/ejic.201100958)
Chain-growth polymerization of unusual anion-radical monomers based on naphthalene diimide: a new route to well-defined n-type conjugated copolymers.
Journal of the American Chemical Society
(2011)
133
19966
(doi: 10.1021/ja208710x)