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Currently displaying 13701 - 13720 of 30651 publications

Visualizing Basins of Attraction for Different Minimization Algorithms

D Asenjo, JD Stevenson, DJ Wales, D Frenkel

(2013)

(doi: 10.48550/arxiv.1309.7845)

The regular [r, s]-Coronenes and the ‘Annulene-Within-an-Annulene’ rule

TK Dickens, RB Mallion

RSC Advances

(2013)

15585

(doi: 10.1039/c3ra42913j)

Oxime-based inhibitors of glucose transporter 1 displaying antiproliferative effects in cancer cells.

T Tuccinardi, C Granchi, J Iegre, I Paterni, S Bertini, M Macchia, A Martinelli, Y Qian, X Chen, F Minutolo

Bioorg Med Chem Lett

(2013)

6923

(doi: 10.1016/j.bmcl.2013.09.037)

Introducing carbon diffusion barriers for uniform, high-quality graphene growth from solid sources

RS Weatherup, C Baehtz, B Dlubak, BC Bayer, PR Kidambi, R Blume, R Schloegl, S Hofmann

Nano letters

(2013)

4624

(doi: 10.1021/nl401601x)

Absorption and Emission Spectra of a Flexible Dye in Solution: a Computational Time-Dependent Approach.

N De Mitri, S Monti, G Prampolini, V Barone

Journal of chemical theory and computation

(2013)

4507

(doi: 10.1021/ct4005799)

Atomic Resolution Description of the Interaction between the Nucleoprotein and Phosphoprotein of Hendra Virus

G Communie, J Habchi, F Yabukarski, D Blocquel, R Schneider, N Tarbouriech, N Papageorgiou, RWH Ruigrok, M Jamin, MR Jensen, S Longhi, M Blackledge

Plos Pathogens

(2013)

e1003631

(doi: 10.1371/journal.ppat.1003631)

Design and Synthesis of a Biotinylated Chemical Probe for Detecting the Molecular Targets of an Inhibitor of the Production of the Pseudomonas aeruginosa Virulence Factor Pyocyanin

YR Baker, WRJD Galloway, JT Hodgkinson, DR Spring

Molecules (Basel, Switzerland)

(2013)

11783

(doi: 10.3390/molecules181011783)

Homogeneous ice nucleation at moderate supercooling from molecular simulation

E Sanz, C Vega, JR Espinosa, R Caballero-Bernal, JLF Abascal, C Valeriani

J Am Chem Soc

(2013)

135

15008

(doi: 10.1021/ja4028814)

Lanthanide cation-templated synthesis of rotaxanes.

F Zapata, OA Blackburn, MJ Langton, S Faulkner, PD Beer

Chem Commun (Camb)

(2013)

8157

(doi: 10.1039/c3cc45404e)

Homogeneous visible-light photoredox catalysis

Y-Q Zou, J-R Chen, W-J Xiao

Angewandte Chemie (International ed. in English)

(2013)

11701

(doi: 10.1002/anie.201307206)

Photocatalytic Hydrogen Evolution with a Hydrogenase in a Mediator‐Free System under High Levels of Oxygen

T Sakai, D Mersch, E Reisner

Angewandte Chemie International Edition

(2013)

12313

(doi: 10.1002/anie.201306214)

Transthyretin suppresses the toxicity of oligomers formed by misfolded proteins in vitro

R Cascella, S Conti, B Mannini, X Li, JN Buxbaum, B Tiribilli, F Chiti, C Cecchi

Biochim Biophys Acta

(2013)

1832

2302

(doi: 10.1016/j.bbadis.2013.09.011)

Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets

GJ van Westen, RF Swier, I Cortes-Ciriano, JK Wegner, JP Overington, AP Ijzerman, HW van Vlijmen, A Bender

Journal of Cheminformatics

(2013)

(doi: 10.1186/1758-2946-5-41)

Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets

GJ van Westen, RF Swier, JK Wegner, AP Ijzerman, HW van Vlijmen, A Bender

Journal of Cheminformatics

(2013)

(doi: 10.1186/1758-2946-5-42)

Different hydration patterns in the pores of AmtB and RhCG could determine their transport mechanisms.

S Baday, S Wang, G Lamoureux, S Bernèche

Biochemistry

(2013)

7091

(doi: 10.1021/bi400015f)

Cucurbit[8]uril and blue-box: High-energy water release overwhelms electrostatic interactions

F Biedermann, M Vendruscolo, OA Scherman, A De Simone, WM Nau

Journal of the American Chemical Society

(2013)

135

14879

(doi: 10.1021/ja407951x)

A Nanobody Binding to Non-Amyloidogenic Regions of the Protein Human Lysozyme Enhances Partial Unfolding but Inhibits Amyloid Fibril Formation

E De Genst, P-H Chan, E Pardon, S-TD Hsu, JR Kumita, J Christodoulou, L Menzer, DY Chirgadze, CV Robinson, S Muyldermans, A Matagne, L Wyns, CM Dobson, M Dumoulin

The journal of physical chemistry. B

(2013)

117

13245

(doi: 10.1021/jp403425z)