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- Currently displaying 8561 - 8580 of 29357 publications
Field-enhanced ion transport in solids: Reexamination with molecular dynamics simulations
– Physical Review B
(2016)
94,
224304
(doi: 10.1103/PhysRevB.94.224304)
Molecular Dynamics Simulation of Tau Peptides for the Investigation of Conformational Changes Induced by Specific Phosphorylation Patterns.
– Methods in Molecular Biology
(2016)
1523,
33
(doi: 10.1007/978-1-4939-6598-4_3)
Finite field methods for the supercell modeling of charged insulator/electrolyte interfaces
– Physical Review B
(2016)
94,
245309
(doi: 10.1103/physrevb.94.245309)
Growth of free-standing bulk wurtzite AlxGa1−xN layers by molecular beam epitaxy using a highly efficient RF plasma source
– Journal of Crystal Growth
(2016)
456,
151
Anti-mesothelioma mechanism of action studies of a complex Cynara scolymus fraction using in silico target prediction and gene expression profiling
– Planta Medica
(2016)
82,
S1
(doi: 10.1055/s-0036-1596242)
Divergent Synthesis of Quinolone Natural Products from $\textit{Pseudonocardia}$ sp. CL38489
– European Journal of Organic Chemistry
(2016)
2016,
5799
(doi: 10.1002/ejoc.201601195)
Coarse-Grained Simulations Complemented by Atomistic Molecular Dynamics Provide New Insights into Folding and Unfolding of Human Telomeric G-Quadruplexes
– J Chem Theory Comput
(2016)
12,
6077
(doi: 10.1021/acs.jctc.6b00667)
Multilayering of Calcium Aerosol-OT at the Mica/Water Interface Studied with Neutron Reflection: Formation of a Condensed Lamellar Phase at the CMC.
– Langmuir
(2016)
32,
13054
(doi: 10.1021/acs.langmuir.6b03601)
Structure, Thermodynamics, and Folding Pathways for a Tryptophan Zipper as a Function of Local Rigidification.
– J Chem Theory Comput
(2016)
12,
6109
(doi: 10.1021/acs.jctc.6b00734)
GPU-Accelerated Exploration of Biomolecular Energy Landscapes
– Journal of chemical theory and computation
(2016)
12,
6182
(doi: 10.1021/acs.jctc.6b00934)
An iron-catalysed C-C bond-forming spirocyclization cascade providing sustainable access to new 3D heterocyclic frameworks.
– Nature Chemistry
(2016)
9,
396
(doi: 10.1038/nchem.2670)
Effects of Nanoscale Heterogeneities on the Reactivity of Shocked Erythritol Tetranitrate
– The Journal of Physical Chemistry C
(2016)
120,
28886
(doi: 10.1021/acs.jpcc.6b11543)
Heterogeneous reaction of ClONO$_{2}$ with TiO$_{2}$ and SiO$_{2}$ aerosol particles: implications for stratospheric particle injection for climate engineering
– Atmospheric Chemistry and Physics
(2016)
16,
15397
(doi: 10.5194/acp-16-15397-2016)
Constraints on oceanic methane emissions west of Svalbard from atmospheric in situ measurements and Lagrangian transport modeling.
– J Geophys Res Atmos
(2016)
121,
14188
(doi: 10.1002/2016JD025590)
Proximity-Induced H-Aggregation of Cyanine Dyes on DNA-Duplexes
– The Journal of Physical Chemistry A
(2016)
120,
9941
(doi: 10.1021/acs.jpca.6b10939)
Multi-dimensional super-resolution imaging enables surface hydrophobicity mapping
– Nat Commun
(2016)
7,
13544
(doi: 10.1038/ncomms13544)
Rapid Self-Assembly of Block Copolymers for Flower-Like Particles with High Throughput
– Langmuir : the ACS journal of surfaces and colloids
(2016)
32,
13517
(doi: 10.1021/acs.langmuir.6b03940)
The Nature of the Mechanical Bond. From Molecules to Machines By Carson J. Bruns and J. Fraser Stoddart.
– Angewandte Chemie International Edition
(2016)
56,
39
(doi: 10.1002/anie.201611682)
Active sites in heterogeneous ice nucleation-the example of K-rich feldspars.
– Science (New York, N.Y.)
(2016)
355,
367
(doi: 10.1126/science.aai8034)
Application to large systems: General discussion
– Faraday discussions
(2016)
195,
671
(doi: 10.1039/C6FD90076C)