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  • Currently displaying 11461 - 11480 of 29289 publications
Author(s)
Publication title
Journal Name
Publication year
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
Proc Natl Acad Sci U S A
(2014)
111
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)
23
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)
1
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)
53
Antibodies and protein misfolding: From structural research tools to therapeutic strategies.
E De Genst, A Messer, CM Dobson
Biochimica Et Biophysica Acta Proteins and Proteomics
(2014)
1844
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
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
processPIXEL: a program to generate energy-vector models from Gavezzotti's PIXEL calculations
AD Bond
Journal of Applied Crystallography
(2014)
47
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
An Oxalate Method for Measuring the Surface Area of Nickel Electrodes
DS Hall, C Bock, BR MacDougall
Journal of The Electrochemical Society
(2014)
161
Different Fluorophore Labeling Strategies and Designs Affect Millisecond Kinetics of DNA Hairpins
A Hartmann, G Krainer, M Schlierf
Molecules
(2014)
19
Tackling Sampling Challenges in Biomolecular Simulations
A Barducci, J Pfaendtner, M Bonomi
Methods in molecular biology (Clifton, N.J.)
(2014)
1215
Berichtigung: Metallfreie Anellierung von Arenen mit 2‐Aminopyridin‐Derivaten: die Methylgruppe als spurlose nichtchelatisierende dirigierende Gruppe
S Manna, K Matcha, AP Antonchick
Angewandte Chemie
(2014)
126
Cys-Scanning disulfide crosslinking and bayesian modeling probe the transmembrane signaling mechanism of the histidine kinase, PhoQ
KS Molnar, M Bonomi, R Pellarin, GD Clinthorne, G Gonzalez, SD Goldberg, M Goulian, A Sali, WF Degrado
Structure
(2014)
22
Corrigendum: Metal‐Free Annulation of Arenes with 2‐Aminopyridine Derivatives: The Methyl Group as a Traceless Non‐Chelating Directing Group
S Manna, K Matcha, AP Antonchick
Angewandte Chemie International Edition
(2014)
53
Supplementary material to "Gaseous products and Secondary Organic Aerosol formation during long term oxidation of isoprene and methacrolein"
L Brégonzio-Rozier, F Siekmann, C Giorio, E Pangui, SB Morales, B Temime-Roussel, A Gratien, V Michoud, S Ravier, A Tapparo, A Monod, J-F Doussin
(2014)
Ultrafast phase-change logic device driven by melting processes
D Loke, JM Skelton, W-J Wang, T-H Lee, R Zhao, T-C Chong, SR Elliott
Proc Natl Acad Sci U S A
(2014)
111
Chiral gold nanowires with boerdijk-coxeter-bernal structure
Y Zhu, J He, C Shang, X Miao, J Huang, Z Liu, H Chen, Y Han
J Am Chem Soc
(2014)
136
Toxicity prediction using heterogeneous chemical and biological data sources
A Bender
Toxicology Letters
(2014)
229
Concise synthesis of substituted quinolizin-4-ones by ring-closing metathesis
TA Alanine, WRJD Galloway, TM McGuire, DR Spring
European Journal of Organic Chemistry
(2014)
2014