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  • Currently displaying 10301 - 10320 of 29865 publications
Author(s)
Publication title
Journal Name
Publication year
Efficient Sampling of High-Dimensional Free-Energy Landscapes with Parallel Bias Metadynamics.
J Pfaendtner, M Bonomi
Journal of Chemical Theory and Computation
(2015)
11
Review-Manganese-Based P2-Type Transition Metal Oxides as Sodium-Ion Battery Cathode Materials
RJ Clément, PG Bruce, CP Grey
Journal of the Electrochemical Society
(2015)
162
Direct UV-written planar Bragg grating sensors
C Holmes, JC Gates, LG Carpenter, HL Rogers, RM Parker, PA Cooper, FRM Adikan, CBE Gawith, PGR Smith, S Chaotan
Measurement Science and Technology
(2015)
26
Latent analysis of unmodified biomolecules and their complexes in solution with attomole detection sensitivity.
EV Yates, T Müller, L Rajah, EJ De Genst, P Arosio, S Linse, M Vendruscolo, CM Dobson, TPJ Knowles
Nature chemistry
(2015)
7
Nanoscale structure of microvoids in a-Si:H: a first-principles study.
P Biswas, SR Elliott
Journal of Physics: Condensed Matter
(2015)
27
Jean-Pierre Hansen - a stimulating history of simulating fluids
B Rotenberg, G Jackson, D Frenkel
Molecular Physics
(2015)
113
Plasticity of an ultrafast interaction between nucleoporins and nuclear transport receptors.
S Milles, D Mercadante, IV Aramburu, MR Jensen, N Banterle, C Koehler, S Tyagi, J Clarke, SL Shammas, M Blackledge, F Gräter, EA Lemke
Cell
(2015)
163
Formation of oligopeptides in high yield under simple programmable conditions
M Rodriguez-Garcia, AJ Surman, GJT Cooper, I Suárez-Marina, Z Hosni, MP Lee, L Cronin
Nat Commun
(2015)
6
Ligand Discovery for the Alanine-Serine-Cysteine Transporter (ASCT2, SLC1A5) from Homology Modeling and Virtual Screening.
C Colas, C Grewer, NJ Otte, A Gameiro, T Albers, K Singh, H Shere, M Bonomi, J Holst, A Schlessinger
PLoS computational biology
(2015)
11
An excited-state approach within full configuration interaction quantum Monte Carlo.
NS Blunt, SD Smart, GH Booth, A Alavi
J Chem Phys
(2015)
143
An Autocatalytic System of Photooxidation‐Driven Substitution Reactions on a FeII4L6 Cage Framework
PP Neelakandan, A Jiménez, JD Thoburn, JR Nitschke
Angewandte Chemie
(2015)
127
An Autocatalytic System of Photooxidation‐Driven Substitution Reactions on a FeII4L6 Cage Framework
PP Neelakandan, A Jiménez, JD Thoburn, JR Nitschke
Angew Chem Int Ed Engl
(2015)
54
Chaperome screening leads to identification of Grp94/Gp96 and FKBP4/52 as modulators of the a-synuclein-elicited immune response
A Labrador-Garrido, M Cejudo-Guillén, S Daturpalli, MM Leal, R Klippstein, EJ De Genst, J Villadiego, JJ Toledo-Aral, CM Dobson, SE Jackson, D Pozo, C Roodveldt
FASEB Journal
(2015)
30
Competition between ices Ih and Ic in homogeneous water freezing.
A Zaragoza, MM Conde, JR Espinosa, C Valeriani, C Vega, E Sanz
J Chem Phys
(2015)
143
Thermodynamic Analysis of Allosteric and Chelate Cooperativity in Di- and Trivalent Ammonium/Crown-Ether Pseudorotaxanes
K Nowosinski, LKS von Krbek, NL Traulsen, CA Schalley
Organic letters
(2015)
17
Luminescent (N^C^C) Gold(III) Complexes: Stabilized Gold(III) Fluorides.
R Kumar, A Linden, C Nevado
Angew Chem Int Ed Engl
(2015)
54
A nocturnal atmospheric loss of CH2I2 in the remote marine boundary layer.
LJ Carpenter, SJ Andrews, RT Lidster, A Saiz-Lopez, M Fernandez-Sanchez, WJ Bloss, B Ouyang, RL Jones
J Atmos Chem
(2015)
74
New Insights into the Structure of Nanoporous Carbons from NMR, Raman, and Pair Distribution Function Analysis
AC Forse, C Merlet, PK Allan, EK Humphreys, JM Griffin, M Aslan, M Zeiger, V Presser, Y Gogotsi, CP Grey
Chemistry of Materials
(2015)
27
EXTRA: Towards an efficient open platform for reconfigurable High Performance Computing
CB Ciobanu, AL Varbanescu, D Pnevmatikatos, G Charitopoulos, X Niu, W Luk, MD Santambrogio, D Sciuto, M Al Kadi, M Huebner, T Becker, G Gaydadjievll, A Brokalakis, A Nikitakis, AJW Thom, E Vansteenkiste, D Stroobandt
2015 IEEE 18th International Conference on Computational Science and Engineering
(2015)
Global modeling of the nitrate radical (NO3) for present and pre-industrial scenarios
MAH Khan, MC Cooke, SR Utembe, AT Archibald, RG Derwent, P Xiao, CJ Percival, ME Jenkin, WC Morris, DE Shallcross
Atmospheric Research
(2015)
164