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- Currently displaying 10301 - 10320 of 29865 publications
Efficient Sampling of High-Dimensional Free-Energy Landscapes with Parallel Bias Metadynamics.
Journal of Chemical Theory and Computation
(2015)
11
5062
(doi: 10.1021/acs.jctc.5b00846)
Review-Manganese-Based P2-Type Transition Metal Oxides as Sodium-Ion Battery Cathode Materials
Journal of the Electrochemical Society
(2015)
162
a2589
(doi: 10.1149/2.0201514jes)
Direct UV-written planar Bragg grating sensors
Measurement Science and Technology
(2015)
26
112001
Latent analysis of unmodified biomolecules and their complexes in solution with attomole detection sensitivity.
Nature chemistry
(2015)
7
802
(doi: 10.1038/NCHEM.2344)
Nanoscale structure of microvoids in a-Si:H: a first-principles study.
Journal of Physics: Condensed Matter
(2015)
27
435201
Jean-Pierre Hansen - a stimulating history of simulating fluids
Molecular Physics
(2015)
113
2363
Plasticity of an ultrafast interaction between nucleoporins and nuclear transport receptors.
Cell
(2015)
163
734
(doi: 10.1016/j.cell.2015.09.047)
Formation of oligopeptides in high yield under simple programmable conditions
Nat Commun
(2015)
6
8385
(doi: 10.1038/ncomms9385)
Ligand Discovery for the Alanine-Serine-Cysteine Transporter (ASCT2, SLC1A5) from Homology Modeling and Virtual Screening.
PLoS computational biology
(2015)
11
e1004477
(doi: 10.1371/journal.pcbi.1004477)
An excited-state approach within full configuration interaction quantum Monte Carlo.
J Chem Phys
(2015)
143
134117
(doi: 10.1063/1.4932595)
An Autocatalytic System of PhotooxidationâDriven Substitution Reactions on a FeII4L6 Cage Framework
Angewandte Chemie
(2015)
127
14586
(doi: 10.1002/ange.201507045)
An Autocatalytic System of PhotooxidationâDriven Substitution Reactions on a FeII4L6 Cage Framework
Angew Chem Int Ed Engl
(2015)
54
14378
(doi: 10.1002/anie.201507045)
Chaperome screening leads to identification of Grp94/Gp96 and FKBP4/52 as modulators of the a-synuclein-elicited immune response
FASEB Journal
(2015)
30
564
(doi: 10.1096/fj.15-275131)
Competition between ices Ih and Ic in homogeneous water freezing.
J Chem Phys
(2015)
143
134504
(doi: 10.1063/1.4931987)
Thermodynamic Analysis of Allosteric and Chelate Cooperativity in Di- and Trivalent Ammonium/Crown-Ether Pseudorotaxanes
Organic letters
(2015)
17
5076
(doi: 10.1021/acs.orglett.5b02592)
Luminescent (N^C^C) Gold(III) Complexes: Stabilized Gold(III) Fluorides.
Angew Chem Int Ed Engl
(2015)
54
14287
(doi: 10.1002/anie.201505533)
A nocturnal atmospheric loss of CH2I2 in the remote marine boundary layer.
J Atmos Chem
(2015)
74
144
(doi: 10.1007/s10874-015-9320-6)
New Insights into the Structure of Nanoporous Carbons from NMR, Raman, and Pair Distribution Function Analysis
Chemistry of Materials
(2015)
27
6848
EXTRA: Towards an efficient open platform for reconfigurable High Performance Computing
2015 IEEE 18th International Conference on Computational Science and Engineering
(2015)
339
(doi: 10.1109/cse.2015.54)
Global modeling of the nitrate radical (NO3) for present and pre-industrial scenarios
Atmospheric Research
(2015)
164
347