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Currently displaying 13101 - 13120 of 31132 publications

Hidden structural features of multicompartment micelles revealed by cryogenic transmission electron tomography.

TI Löbling, JS Haataja, CV Synatschke, FH Schacher, M Müller, A Hanisch, AH Gröschel, AHE Müller

ACS nano

(2014)

11330

(doi: 10.1021/nn504197y)

Effect of Ionic Strength on the Rate of Extracellular Electron Transport in Shewanella oneidensis MR‐1 through Bound‐Flavin Semiquinones

S Kalathil, K Hashimoto, A Okamoto

Chemelectrochem

(2014)

1840

(doi: 10.1002/celc.201402195)

Equilibrium simulations of proteins using molecular fragment replacement and NMR chemical shifts

W Boomsma, P Tian, J Frellsen, J Ferkinghoff-Borg, T Hamelryck, K Lindorff-Larsen, M Vendruscolo

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

(2014)

111

13852

(doi: 10.1073/pnas.1404948111)

NMR characterization of the conformational fluctuations of the human lymphocyte function-associated antigen-1 I-domain

HTA Leung, P Kukic, C Camilloni, F Bemporad, A De Simone, FA Aprile, JR Kumita, M Vendruscolo

Protein Sci

(2014)

1596

(doi: 10.1002/pro.2538)

Nucleotide contributions to the structural integrity and DNA replication initiation activity of noncoding y RNA.

I Wang, MP Kowalski, AR Langley, R Rodriguez, S Balasubramanian, S-TD Hsu, T Krude

Biochemistry

(2014)

5848

(doi: 10.1021/bi500470b)

A Nuclear Magnetic Resonance Study of the Binding of Trimethylphosphine Selenide to Cadmium Oleate

R Garcia-Rodriguez, H Liu

The journal of physical chemistry. A

(2014)

118

7314

(doi: 10.1021/jp411681f)

Interdependency of subsurface carbon distribution and graphene-catalyst interaction

RS Weatherup, H Amara, R Blume, B Dlubak, BC Bayer, M Diarra, M Bahri, A Cabrero-Vilatela, S Caneva, PR Kidambi, M-B Martin, C Deranlot, P Seneor, R Schloegl, F Ducastelle, C Bichara, S Hofmann

Journal of the American Chemical Society

(2014)

136

13698

(doi: 10.1021/ja505454v)

Antibodies and protein misfolding: From structural research tools to therapeutic strategies

E De Genst, A Messer, CM Dobson

Biochimica et biophysica acta

(2014)

1844

1907

(doi: 10.1016/j.bbapap.2014.08.016)

A General Continuous Flow Method for Palladium Catalysed Carbonylation Reactions Using Single and Multiple Tube‐in‐Tube Gas‐Liquid Microreactors

U Gross, P Koos, M O'Brien, A Polyzos, SV Ley

European Journal of Organic Chemistry

(2014)

2014

6418

(doi: 10.1002/ejoc.201402804)

ProcessPIXEL: A program to generate energy-vector models from Gavezzotti's PIXEL calculations

AD Bond

Journal of Applied Crystallography

(2014)

1777

(doi: 10.1107/S1600576714016446)

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, AW Lange, A Behn, J Deng, X Feng, D Ghosh, M Goldey, PR Horn, LD Jacobson, I Kaliman, RZ Khaliullin, T Kuś, A Landau, J Liu, EI Proynov, YM Rhee, RM Richard, MA Rohrdanz, RP Steele, EJ Sundstrom, HL Woodcock, PM Zimmerman, D Zuev, B Albrecht, E Alguire, B Austin, GJO Beran, YA Bernard, E Berquist, K Brandhorst, KB Bravaya, ST Brown, D Casanova, C-M Chang, Y Chen, SH Chien, KD Closser, DL Crittenden, M Diedenhofen, RA DiStasio, H Do, AD Dutoi, RG Edgar, S Fatehi, L Fusti-Molnar, A Ghysels, A Golubeva-Zadorozhnaya, J Gomes, MWD Hanson-Heine, PHP Harbach, AW Hauser, EG Hohenstein, ZC Holden, T-C Jagau, H Ji, B Kaduk, K Khistyaev, J Kim, J Kim, RA King, P Klunzinger, D Kosenkov, T Kowalczyk, CM Krauter, KU Lao, AD Laurent, KV Lawler, SV Levchenko, CY Lin, F Liu, E Livshits, RC Lochan, A Luenser, P Manohar, SF Manzer, S-P Mao, N Mardirossian, AV Marenich, SA Maurer, NJ Mayhall, E Neuscamman, CM Oana, R Olivares-Amaya, DP O’Neill, JA Parkhill, TM Perrine, R Peverati, A Prociuk, DR Rehn, E Rosta, NJ Russ, SM Sharada, S Sharma, DW Small, A Sodt, T Stein, D Stück, Y-C Su, AJW Thom, T Tsuchimochi, V Vanovschi, L Vogt, O Vydrov, T Wang, MA Watson, J Wenzel, A White, CF Williams, J Yang, S Yeganeh, SR Yost, Z-Q You, IY Zhang, X Zhang, Y Zhao, BR Brooks, GKL Chan, DM Chipman, CJ Cramer, WA Goddard, MS Gordon, WJ Hehre, A Klamt, HF Schaefer, MW Schmidt, CD Sherrill, DG Truhlar, A Warshel, X Xu, A Aspuru-Guzik, R Baer, AT Bell, NA Besley, J-D Chai, A Dreuw, BD Dunietz, TR Furlani, SR Gwaltney, C-P Hsu, Y Jung, J Kong, DS Lambrecht, W Liang, C Ochsenfeld, VA Rassolov, LV Slipchenko, JE Subotnik, T Van Voorhis, JM Herbert, AI Krylov, PMW Gill, M Head-Gordon

Molecular Physics

(2014)

113

184

(doi: 10.1080/00268976.2014.952696)

Tackling Sampling Challenges in Biomolecular Simulations

A Barducci, J Pfaendtner, M Bonomi

Methods Mol Biol

(2014)

1215

151

(doi: 10.1007/978-1-4939-1465-4_8)