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Currently displaying 14621 - 14640 of 30214 publications

Facile backbone (1H, 15N, 13Ca, and 13C′) assignment of 13C/15N‐labeled proteins using orthogonal projection planes of HNN and HN(C)N experiments and its automation

D Kumar, A Borkar, RV Hosur

Magnetic resonance in chemistry : MRC

(2012)

357

(doi: 10.1002/mrc.3801)

Intrinsic disorder modulates protein self-assembly and aggregation.

A De Simone, C Kitchen, AH Kwan, M Sunde, CM Dobson, D Frenkel

Proc Natl Acad Sci U S A

(2012)

109

6951

(doi: 10.1073/pnas.1118048109)

Discovery of potent dual inhibitors of both XIAP and cIAP1 using fragment based drug discovery

G Chessari, I Buck, E Chiarparin, J Day, M Frederickson, K Hearn, T Heightman, P Hillmann, A Iqbal, C Johnson, J Lewis, V Martins, C Richardson, T Smyth, E Tamanini, N Thompson, G Ward, G Williams, P Williams, N Wilsher, A Woolford

Cancer Research

(2012)

2018

(doi: 10.1158/1538-7445.am2012-2018)

Routine microsecond molecular dynamics simulations with AMBER on GPUs. 1. generalized born

AW Götz, MJ Williamson, D Xu, D Poole, S Le Grand, RC Walker

J Chem Theory Comput

(2012)

1542

(doi: 10.1021/ct200909j)

Design, synthesis and biological evaluation of non-natural modulators of quorum sensing in Pseudomonas aeruginosa.

JT Hodgkinson, WRJD Galloway, M Wright, IK Mati, RL Nicholson, M Welch, DR Spring

Organic & Biomolecular Chemistry

(2012)

6032

(doi: 10.1039/c2ob25198a)

Analytical evaluation of Fukui functions and real-space linear response function

W Yang, AJ Cohen, F De Proft, P Geerlings

The Journal of Chemical Physics

(2012)

136

144110

(doi: 10.1063/1.3701562)

Expanding the tools available for direct ortho cupration – targeting lithium phosphidocuprates

PJ Harford, J Haywood, MR Smith, BN Bhawal, PR Raithby, M Uchiyama, AEH Wheatley

Dalton Trans

(2012)

6148

(doi: 10.1039/c2dt12415g)

Interview with Jeremy Sanders.

J Sanders

Chemical communications (Cambridge, England)

(2012)

4931

(doi: 10.1039/c2cc90099h)

Predicting cavity formation free energy: how far is the Gaussian approximation valid?

T Head-Gordon, RM Lynden-Bell, JR Dowdle, PJ Rossky

Physical Chemistry Chemical Physics

(2012)

6996

(doi: 10.1039/c2cp00046f)

Diversity-oriented synthesis: producing chemical tools for dissecting biology.

CJ O' Connor, HSG Beckmann, DR Spring

Chemical Society reviews

(2012)

4444

(doi: 10.1039/c2cs35023h)

Supramolecular Chemistry

JR Nitschke

(2012)

1575

Staphylococcal biofilm-forming protein has a contiguous rod-like structure

DT Gruszka, JA Wojdyla, RJ Bingham, JP Turkenburg, IW Manfield, A Steward, AP Leech, JA Geoghegan, TJ Foster, J Clarke, JR Potts

Proceedings of the National Academy of Sciences

(2012)

109

E1011

(doi: 10.1073/pnas.1119456109)

Nature and Structure of Aluminum Surface Sites Grafted on Silica from a Combination of High-Field Aluminum-27 Solid-State NMR Spectroscopy and First-Principles Calculations

RN Kerber, A Kermagoret, E Callens, P Florian, D Massiot, A Lesage, C Copéret, F Delbecq, X Rozanska, P Sautet

J Am Chem Soc

(2012)

134

6767

(doi: 10.1021/ja3008566)