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- Currently displaying 10661 - 10680 of 29681 publications
Efficient Sampling of High-Dimensional Free-Energy Landscapes with Parallel Bias Metadynamics
J Chem Theory Comput
(2015)
11
5062
(doi: 10.1021/acs.jctc.5b00846)
Latent analysis of unmodified biomolecules and their complexes in solution with attomole detection sensitivity
Nature Chemistry
(2015)
7
802
(doi: 10.1038/nchem.2344)
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
Jean-Pierre Hansen – a stimulating history of simulating fluids
Molecular Physics
(2015)
113
2363
Nanoscale structure of microvoids in a-Si:H: a first-principles study
Journal of Physics Condensed Matter
(2015)
27
435201
Plasticity of an ultrafast interaction between nucleoporins and nuclear transport receptors.
Cell
(2015)
163
734
(doi: 10.1016/j.cell.2015.09.047)
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.
The Journal of Chemical Physics
(2015)
143
134117
(doi: 10.1063/1.4932595)
Formation of oligopeptides in high yield under simple programmable conditions.
Nature Communications
(2015)
6
8385
(doi: 10.1038/ncomms9385)
Competition between ices Ih and Ic in homogeneous water freezing
The Journal of Chemical Physics
(2015)
143
134504
(doi: 10.1063/1.4931987)
An Autocatalytic System of Photooxidation-Driven Substitution Reactions on a FeII4L6 Cage Framework
Angew Chem Int Ed Engl
(2015)
54
14378
(doi: 10.1002/anie.201507045)
An Autocatalytic System of PhotooxidationâDriven Substitution Reactions on a FeII4L6 Cage Framework
Angewandte Chemie
(2015)
127
14586
(doi: 10.1002/ange.201507045)
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.
Angewandte Chemie (International ed. in English)
(2015)
54
14287
(doi: 10.1002/anie.201505533)
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)
A nocturnal atmospheric loss of CH2I2 in the remote marine boundary layer
Journal of atmospheric chemistry
(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
Global modeling of the nitrate radical (NO3) for present and pre-industrial scenarios
Atmospheric Research
(2015)
164-165
347
Experimental and Theoretical Evaluation of the Ethynyl Moiety as a Halogen Bioisostere.
ACS Chem Biol
(2015)
10
2725
(doi: 10.1021/acschembio.5b00515)