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Currently displaying 13781 - 13800 of 29915 publications

Structural basis for efficient chromophore communication and energy transfer in a constructed didomain protein scaffold

JAJ Arpino, H Czapinska, A Piasecka, WR Edwards, P Barker, MJ Gajda, M Bochtler, DD Jones

J Am Chem Soc

(2012)

134

13632

(doi: 10.1021/ja301987h)

Complementing High-Throughput X-ray Powder Diffraction Data With Quantum–Chemical Calculations: Application to Piroxicam Form III

K Naelapää, J van de Streek, J Rantanen, AD Bond

Journal of Pharmaceutical Sciences

(2012)

101

4214

(doi: 10.1002/jps.23287)

A total synthesis of the ammonium ionophore, (-)-enniatin B

DX Hu, M Bielitza, P Koos, SV Ley

Tetrahedron Letters

(2012)

4077

(doi: 10.1016/j.tetlet.2012.05.110)

Smoothing of the GB1 Hairpin Folding Landscape by Interfacial Confinement

A Bhattacharya, RB Best, J Mittal

Biophysical Journal

(2012)

103

596

(doi: 10.1016/j.bpj.2012.07.005)

Toward a trace-free oxidant - Insight into unexpected high yields of vapor phase polymerized polyterthiophene

C Ong, PM Bayley, O Winther-Jensen, B Winther-Jensen

Polymer Journal

(2012)

391

(doi: 10.1038/pj.2012.150)

A synthesis of the pseudopterosin A-F aglycone

J Cooksey, P Kocieński, A Schmidt, T Snaddon, C Kilner

Synthesis Germany

(2012)

2779

(doi: 10.1055/s-0032-1316643)

A Synthesis of the Pseudopterosin A–F Aglycone

J Cooksey, P Kocieński, A Schmidt, T Snaddon, C Kilner

Synthesis

(2012)

2779

(doi: 10.1055/s-0032-1316643)

The Silicides M4Si4 with M = Na, K, Rb, Cs, and Ba2Si4 – NMR Spectroscopy and Quantum Mechanical Calculations

T Goebel, A Ormeci, O Pecher, F Haarmann

Zeitschrift für anorganische und allgemeine Chemie

(2012)

638

1437

(doi: 10.1002/zaac.201200198)

Halide Anions as Shape-Directing Agents for Obtaining High-Quality Anisotropic Gold Nanostructures

JS DuChene, W Niu, JM Abendroth, Q Sun, W Zhao, F Huo, WD Wei

Chemistry of Materials

(2012)

1392

(doi: 10.1021/cm3020397)

The semantics of Chemical Markup Language (CML) for computational chemistry : CompChem

W Phadungsukanan, M Kraft, JA Townsend, P Murray-Rust

Journal of cheminformatics

(2012)

(doi: 10.1186/1758-2946-4-15)

Solution and Solid-State Supramolecular Chemistry of Naphthalenediimides

GD Pantos, JKM Sanders

Acta Crystallographica Section A: Foundations and advances

(2012)

S116

(doi: 10.1107/S0108767312097759)

A novel approach to crystal structure determination for organic compounds.

MD Eddleston, KE Hejczyk, EG Bithell, GM Day, W Jones

Acta Crystallographica Section A: Foundations and advances

(2012)

S109

(doi: 10.1107/s0108767312097899)

Four-Site Cooperative Spin Crossover in Polymorphs of a Mononuclear Fe(II) Complex

AD Bond, A Lennartson, S Piligkos, CJ McKenzie

Acta Crystallographica Section A: Foundations and advances

(2012)

S78

(doi: 10.1107/S0108767312098492)

Discovery of novel allosteric inhibitors of HCV NS3/4a enzyme via structure-based drug design Discovery of novel allosteric inhibitors of HCV NS3/4a enzyme via structure-based drug design

P Pathuri, SM Saalau-Bethell, AJ Woodhead, MG Carr, G Chessari, J Coyle, M Frederickson, B Graham, C Hamlett, SD Hiscock, FP Holding, H Jhoti, R McMenamin, CW Murray, M Reader, DC Rees, SJ Rich, CJ Richardson, N Thompson, ML Verdonk, M Vinkovic, PA Williams, J Yon

Acta Crystallographica Section A Foundations of Crystallography

(2012)

s27

(doi: 10.1107/S0108767312099473)

Fabrication of microgel particles with complex shape via selective polymerization of aqueous Ttwo-phase systems.

S Ma, J Thiele, X Liu, Y Bai, C Abell, WTS Huck

Small (Weinheim an der Bergstrasse, Germany)

(2012)

2356

(doi: 10.1002/smll.201102715)

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ₁ and χ₂ Dihedral Angles

RB Best, X Zhu, J Shim, PEM Lopes, J Mittal, M Feig, AD Mackerell

Journal of Chemical Theory and Computation

(2012)

3257

(doi: 10.1021/ct300400x)

First-order rate-determining aggregation mechanism of p53 and its implications.

G Wang, AR Fersht

Proceedings of the National Academy of Sciences of the United States of America

(2012)

109

13590

(doi: 10.1073/pnas.1211557109)