Publications

Tips on using this search form

All search terms are case-insensitive
If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
To reset the search form, click here

Currently displaying 14061 - 14080 of 29915 publications

Force-Field Dependence of Chignolin Folding and Misfolding: Comparison with Experiment and Redesign

P Kührová, A De Simone, M Otyepka, RB Best

Biophysical Journal

(2012)

102

1897

(doi: 10.1016/j.bpj.2012.03.024)

Highly efficient ring-opening reaction of azlactone-based copolymer platforms for the design of functionalized materials.

A Laquièvre, NS Allaway, J Lyskawa, P Woisel, J-M Lefebvre, D Fournier

Macromol Rapid Commun

(2012)

848

(doi: 10.1002/marc.201200063)

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

Magn Reson Chem

(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

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

(2012)

109

6951

(doi: 10.1073/pnas.1118048109)

Abstract 2018: 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

Journal of Chemical Theory and Computation

(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 and Biomolecular Chemistry

(2012)

6032

(doi: 10.1039/c2ob25198a)

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 transactions (Cambridge, England : 2003)

(2012)

6148

(doi: 10.1039/c2dt12415g)

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)

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 : PCCP

(2012)

6996

(doi: 10.1039/c2cp00046f)

Interview with Jeremy Sanders.

J Sanders

Chem Commun (Camb)

(2012)

4931

(doi: 10.1039/c2cc90099h)

Supramolecular Chemistry

JR Nitschke

(2012)

1575

Correction: Corrigendum: The BioPAX community standard for pathway data sharing

E Demir, MP Cary, S Paley, K Fukuda, C Lemer, I Vastrik, G Wu, P D'Eustachio, C Schaefer, J Luciano, F Schacherer, I Martinez-Flores, Z Hu, V Jimenez-Jacinto, G Joshi-Tope, K Kandasamy, AC Lopez-Fuentes, H Mi, E Pichler, I Rodchenkov, A Splendiani, S Tkachev, J Zucker, G Gopinath, H Rajasimha, R Ramakrishnan, I Shah, M Syed, N Anwar, O Babur, M Blinov, E Brauner, D Corwin, S Donaldson, F Gibbons, R Goldberg, P Hornbeck, A Luna, P Murray-Rust, E Neumann, O Reubenacker, M Samwald, M van Iersel, S Wimalaratne, K Allen, B Braun, M Whirl-Carrillo, KH Cheung, K Dahlquist, A Finney, M Gillespie, E Glass, L Gong, R Haw, M Honig, O Hubaut, D Kane, S Krupa, M Kutmon, J Leonard, D Marks, D Merberg, V Petri, A Pico, D Ravenscroft, L Ren, N Shah, M Sunshine, R Tang, R Whaley, S Letovksy, KH Buetow, A Rzhetsky, V Schachter, BS Sobral, U Dogrusoz, S McWeeney, M Aladjem, E Birney, J Collado-Vides, S Goto, M Hucka, N Le Novère, N Maltsev, A Pandey, P Thomas, E Wingender, PD Karp, C Sander, GD Bader

Nat Biotechnol

(2012)

365

(doi: 10.1038/nbt0412-365c)

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)

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)