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Currently displaying 11541 - 11560 of 30427 publications

Ab Initio Molecular-Dynamics Simulation of Neuromorphic Computing in Phase-Change Memory Materials.

JM Skelton, D Loke, T Lee, SR Elliott

ACS Applied Materials and Interfaces

(2015)

14223

(doi: 10.1021/acsami.5b01825)

89 Constructing free energy landscapes of RNAs at atomic resolution and characterisation of their excited states

AN Borkar, P Vallurupalli, C Camilloni, LE Kay, M Vendruscolo

J Biomol Struct Dyn

(2015)

33 Suppl 1

(doi: 10.1080/07391102.2015.1032706)

Alpha-2-Macroglobulin Is Acutely Sensitive to Freezing and Lyophilization: Implications for Structural and Functional Studies.

AR Wyatt, JR Kumita, NE Farrawell, CM Dobson, MR Wilson

Plos One

(2015)

e0130036

(doi: 10.1371/journal.pone.0130036)

Metrabase: A cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling

L Mak, D Marcus, A Howlett, G Yarova, G Duchateau, W Klaffke, A Bender, RC Glen

Journal of Cheminformatics

(2015)

(doi: 10.1186/s13321-015-0083-5)

Constructing free energy landscapes of RNAs at atomic resolution and characterisation of their excited states

PNA Okai, E Agustin, MR Miller, J Sheng, M Royzen

Journal of Biomolecular Structure and Dynamics

(2015)

(doi: 10.1080/07391102.2015.1032703)

FOXM1 binds directly to non-consensus sequences in the human genome.

DA Sanders, MV Gormally, G Marsico, D Beraldi, D Tannahill, S Balasubramanian

Genome Biol

(2015)

130

(doi: 10.1186/s13059-015-0696-z)

Multiple Redox Modes in the Reversible Lithiation of High-Capacity, Peierls-Distorted Vanadium Sulfide

S Britto, M Leskes, X Hua, C-A Hébert, HS Shin, S Clarke, O Borkiewicz, KW Chapman, R Seshadri, J Cho, CP Grey

J Am Chem Soc

(2015)

137

8499

(doi: 10.1021/jacs.5b03395)

In situ NMR and electrochemical quartz crystal microbalance techniques reveal the structure of the electrical double layer in supercapacitors.

JM Griffin, AC Forse, W-Y Tsai, P-L Taberna, P Simon, CP Grey

Nature materials

(2015)

812

(doi: 10.1038/NMAT4318)

The Application of Ligand-Mapping Molecular Dynamics Simulations to the Rational Design of Peptidic Modulators of Protein–Protein Interactions

YS Tan, DR Spring, C Abell, CS Verma

Journal of Chemical Theory and Computation

(2015)

3199

(doi: 10.1021/ct5010577)

Porous, robust highly conducting Ni-YSZ thin film anodes prepared by magnetron sputtering at oblique angles for application as anodes and buffer layers in solid oxide fuel cells

FJ Garcia-Garcia, F Yubero, AR González-Elipe, SP Balomenou, D Tsiplakides, I Petrakopoulou, RM Lambert

International Journal of Hydrogen Energy

(2015)

7382

(doi: 10.1016/j.ijhydene.2015.04.001)

Effective interactions and large deviations in stochastic processes

RL Jack, P Sollich

European Physical Journal Special Topics

(2015)

224

2351

(doi: 10.1140/epjst/e2015-02416-9)

Enantioselective and Regiodivergent Copper-Catalyzed Electrophilic Arylation of Allylic Amides with Diaryliodonium Salts.

E Cahard, HPJ Male, M Tissot, MJ Gaunt

Journal of the American Chemical Society

(2015)

137

7986

(doi: 10.1021/jacs.5b03937)

Structure of a single-chain Fv bound to the 17 N-terminal residues of huntingtin provides insights into pathogenic amyloid formation and suppression

E De Genst, DY Chirgadze, FAC Klein, DC Butler, D Matak-Vinković, Y Trottier, JS Huston, A Messer, CM Dobson

Journal of Molecular Biology

(2015)

427

2166

(doi: 10.1016/j.jmb.2015.03.021)

Overcoming Chemical, Biological, and Computational Challenges in the Development of Inhibitors Targeting Protein-Protein Interactions

L Laraia, G McKenzie, DR Spring, AR Venkitaraman, DJ Huggins

Chemistry & Biology

(2015)

689

(doi: 10.1016/j.chembiol.2015.04.019)

Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets.

I Cortes-Ciriano, A Bender, TE Malliavin

Journal of chemical information and modeling

(2015)

1413

(doi: 10.1021/acs.jcim.5b00101)

Dependence on Crystal Size of the Nanoscale Chemical Phase Distribution and Fracture in Li_xFePO₄

Y-S Yu, C Kim, DA Shapiro, M Farmand, D Qian, T Tyliszczak, ALD Kilcoyne, R Celestre, S Marchesini, J Joseph, P Denes, T Warwick, FC Strobridge, CP Grey, H Padmore, YS Meng, R Kostecki, J Cabana

Nano letters

(2015)

4282

(doi: 10.1021/acs.nanolett.5b01314)