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  • Currently displaying 14021 - 14040 of 29876 publications
Author(s)
Publication title
Journal Name
Publication year
The Silicides M4Si4 with M = Na, K, Rb, Cs, and Ba2Si4-NMR Spectroscopy and Quantum Mechanical Calculations
T Goebel, A Ormeci, O Pecher, F Haarmann
Zeitschrift für anorganische und allgemeine Chemie
(2012)
638
Complementing high-throughput X-ray powder diffraction data with quantum-chemical calculations: Application to piroxicam form III.
K Naelapää, J van de Streek, J Rantanen, AD Bond
Journal of pharmaceutical sciences
(2012)
101
A total synthesis of the ammonium ionophore, (-)-enniatin B
DX Hu, M Bielitza, P Koos, SV Ley
Tetrahedron Letters
(2012)
53
The semantics of Chemical Markup Language (CML) for computational chemistry : CompChem.
W Phadungsukanan, M Kraft, JA Townsend, P Murray-Rust
Journal of cheminformatics
(2012)
4
Solution and Solid-State Supramolecular Chemistry of Naphthalenediimides
GD Pantos, JKM Sanders
Acta Crystallographica Section A Foundations of Crystallography
(2012)
68
Discovery of novel allosteric inhibitors of HCV NS3/4a enzyme via structure-based drug design Discovery of novel allosteric inhibitors of HCV NS3/4a enzyme via structure-based drug design
P Pathuri, SM Saalau-Bethell, AJ Woodhead, MG Carr, G Chessari, J Coyle, M Frederickson, B Graham, C Hamlett, SD Hiscock, FP Holding, H Jhoti, R McMenamin, CW Murray, M Reader, DC Rees, SJ Rich, CJ Richardson, N Thompson, ML Verdonk, M Vinkovic, PA Williams, J Yon
Acta Crystallographica Section A: Foundations and advances
(2012)
68
Four-site cooperative spin crossover in polymorphs of a mononuclear FeII complex
AD Bond, A Lennartson, S Piligkos, CJ McKenzie
Acta Crystallographica Section A Foundations of Crystallography
(2012)
68
A novel approach to crystal structure determination for organic compounds
MD Eddleston, KE Hejczyk, EG Bithell, GM Day, W Jones
Acta Crystallographica Section A: Foundations and advances
(2012)
68
Halide Anions as Shape-Directing Agents for Obtaining High-Quality Anisotropic Gold Nanostructures
JS DuChene, W Niu, JM Abendroth, Q Sun, W Zhao, F Huo, WD Wei
Chemistry of Materials
(2012)
25
Kinetic mechanism of p53 oncogenic mutant aggregation and its inhibition
R Wilcken, G Wang, FM Boeckler, AR Fersht
Proceedings of the National Academy of Sciences of the United States of America
(2012)
109
First-order rate-determining aggregation mechanism of p53 and its implications.
G Wang, AR Fersht
Proc Natl Acad Sci U S A
(2012)
109
Continuous multiple liquid-liquid separation: diazotization of amino acids in flow.
DX Hu, M O'Brien, SV Ley
Organic letters
(2012)
14
Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles
RB Best, X Zhu, J Shim, PEM Lopes, J Mittal, M Feig, AD Mackerell
Journal of Chemical Theory and Computation
(2012)
8
Fabrication of microgel particles with complex shape via selective polymerization of aqueous two-phase systems
S Ma, J Thiele, X Liu, Y Bai, C Abell, WTS Huck
Small
(2012)
8
ADP ribosylation adapts an ER chaperone response to short-term fluctuations in unfolded protein load
JE Chambers, K Petrova, G Tomba, M Vendruscolo, D Ron
Journal of Cell Biology
(2012)
198
Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism
IA Riddell, MMJ Smulders, JK Clegg, YR Hristova, B Breiner, JD Thoburn, JR Nitschke
Nat Chem
(2012)
4
Expanding the genetic code of Drosophila melanogaster.
A Bianco, FM Townsley, S Greiss, K Lang, JW Chin
Nat Chem Biol
(2012)
8
On the Increase in Boundary Friction with Sliding Speed
S Campen, J Green, G Lamb, D Atkinson, H Spikes
Tribology Letters
(2012)
48
Semantic physical science.
P Murray-Rust, HS Rzepa
J Cheminform
(2012)
4
Quantification of chemical and physical processes influencing ozone during long-range transport using a trajectory ensemble
M Cain, J Methven, EJ Highwood
Atmospheric Chemistry and Physics
(2012)
12