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Currently displaying 9681 - 9700 of 29132 publications

Efficient Sampling of High-Dimensional Free-Energy Landscapes with Parallel Bias Metadynamics.

J Pfaendtner, M Bonomi – 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.

EV Yates, T Müller, L Rajah, EJ De Genst, P Arosio, S Linse, M Vendruscolo, CM Dobson, TPJ Knowles – Nature Chemistry (2015) 7, 802

(DOI: 10.1038/nchem.2344)

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, A2589

(DOI: 10.1149/2.0201514jes)

Jean-Pierre Hansen – a stimulating history of simulating fluids

B Rotenberg, G Jackson, D Frenkel – Molecular Physics (2015) 113, 2363

(DOI: 10.1080/00268976.2015.1079971)

Nanoscale structure of microvoids ina-Si:H: a first-principles study

P Biswas, SR Elliott – Journal of Physics Condensed Matter (2015) 27, 435201

(DOI: 10.1088/0953-8984/27/43/435201)

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, 734

(DOI: 10.1016/j.cell.2015.09.047)

An excited-state approach within full configuration interaction quantum Monte Carlo

NS Blunt, SD Smart, GH Booth, A Alavi – The Journal of chemical physics (2015) 143, 134117

(DOI: 10.1063/1.4932595)

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, 8385

(DOI: 10.1038/ncomms9385)

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, e1004477

(DOI: 10.1371/journal.pcbi.1004477)

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, 14586

(DOI: 10.1002/ange.201507045)

An Autocatalytic System of Photooxidation‐Driven Substitution Reactions on a FeII4L6 Cage Framework

PP Neelakandan, A Jiménez, JD Thoburn, JR Nitschke – Angewandte Chemie International Edition (2015) 54, 14378

(DOI: 10.1002/anie.201507045)

Chaperome screening leads to identification of Grp94/Gp96 and FKBP4/52 as modulators of the α-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, 564

(DOI: 10.1096/fj.15-275131)

Competition between ices Ih and Ic in homogeneous water freezing.

A Zaragoza, MM Conde, JR Espinosa, C Valeriani, C Vega, E Sanz – The Journal of Chemical Physics (2015) 143, 134504

(DOI: 10.1063/1.4931987)

Luminescent (N∧C∧C) Gold(III) Complexes: Stabilized Gold(III) Fluorides

R Kumar, A Linden, C Nevado – Angew Chem Int Ed Engl (2015) 54, 14287

(DOI: 10.1002/anie.201505533)

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, 5076

(DOI: 10.1021/acs.orglett.5b02592)

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 – Journal of atmospheric chemistry (2015) 74, 144

(DOI: 10.1007/s10874-015-9320-6)