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  • Currently displaying 18281 - 18300 of 30215 publications
Author(s)
Publication title
Journal Name
Publication year
Variance minimization of free energy estimates from optimized expanded ensembles
FJ Martínez-Veracoechea, FA Escobedo
The journal of physical chemistry. B
(2008)
112
Mercury and halogen emissions from Masaya and Telica volcanoes, Nicaragua
MLI Witt, TA Mather, DM Pyle, A Aiuppa, E Bagnato, VI Tsanev
Journal of Geophysical Research Solid Earth
(2008)
113
Density oscillations in a nanoscale water film on salt: Insight from ab initio molecular dynamics
L Liu, M Krack, A Michaelides
Journal of the American Chemical Society
(2008)
130
Localized surface plasmon resonance (LSPR) sensitivity of Au nanodot patterns to probe solvation effects in polyelectrolyte brushes.
S Kim, N Cheng, J-R Jeong, S-G Jang, S-M Yang, WTS Huck
Chem Commun (Camb)
(2008)
Protein structure prediction using basin-hopping.
MC Prentiss, DJ Wales, PG Wolynes
Journal of Chemical Physics
(2008)
128
Capture of hydroxymethylene and its fast disappearance through tunnelling.
PR Schreiner, HP Reisenauer, FC Pickard, AC Simmonett, WD Allen, E Mátyus, AG Császár
Nature
(2008)
453
Cu(II)-Catalyzed direct and site-selective arylation of indoles under mild conditions
RJ Phipps, NP Grimster, MJ Gaunt
J Am Chem Soc
(2008)
130
Theoretical study of the mechanism of hantzsch ester hydrogenation of imines catalyzed by chiral BINOL-phosphoric acids.
L Simón, JM Goodman
Journal of the American Chemical Society
(2008)
130
Theoretical study of the asymmetric conjugate alkenylation of enones catalyzed by binaphthols.
RS Paton, JM Goodman, SC Pellegrinet
J Org Chem
(2008)
73
Variable-temperature 17O NMR study of oxygen motion in the anionic conductor Bi26Mo10O69
L Holmes, L Peng, I Heinmaa, LA O’Dell, ME Smith, R-N Vannier, CP Grey
Chemistry of Materials
(2008)
20
Molecular Dynamics Simulations of Membrane Proteins
PC Biggin, PJ Bond
Methods in molecular biology (Clifton, N.J.)
(2008)
443
Template-assembled synthetic G-quartets (TASQs)
M Nikan, JC Sherman
Angewandte Chemie International Edition
(2008)
47
Conformational stability and folding mechanisms of dimeric proteins.
JAO Rumfeldt, C Galvagnion, KA Vassall, EM Meiering
Progress in Biophysics and Molecular Biology
(2008)
98
Knotted fusion proteins reveal unexpected possibilities in protein folding
AL Mallam, SC Onuoha, JG Grossmann, SE Jackson
Molecular cell
(2008)
30
A stochastic method for the reconstruction of protein structures from one-dimensional structural profiles
K Wolff, M Vendruscolo, M Porto
Gene
(2008)
422
Metadynamic sampling of the free-energy landscapes of proteins coupled with a Monte Carlo algorithm
F Marini, C Camilloni, D Provasi, RA Broglia, G Tiana
Gene
(2008)
422
Discovery of Nonsteroidal 17β-Hydroxysteroid Dehydrogenase 1 Inhibitors by Pharmacophore-Based Screening of Virtual Compound Libraries
D Schuster, LG Nashev, J Kirchmair, C Laggner, G Wolber, T Langer, A Odermatt
J Med Chem
(2008)
51
Investigation into the Phosphorescence of a Series of Regioisomeric Iridium(III) Complexes
HA Bronstein, CE Finlayson, KR Kirov, RH Friend, CK Williams
Organometallics
(2008)
27
Geometric phase effects in resonance-mediated scattering: H+ H2+ on its lowest triplet electronic state
JC Juanes-Marcos, AJC Varandas, SC Althorpe
Journal of Chemical Physics
(2008)
128
G-quadruplex recognition by bis-indole carboxamides
J Dash, PS Shirude, S Balasubramanian
Chemical communications (Cambridge, England)
(2008)