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  • Currently displaying 14281 - 14300 of 30152 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
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
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
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
(2012)
109
First-order rate-determining aggregation mechanism of p53 and its implications.
G Wang, AR Fersht
Proceedings of the National Academy of Sciences
(2012)
109
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
J Cell Biol
(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
Nature chemistry
(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
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
Semantic physical science.
P Murray-Rust, HS Rzepa
Journal of cheminformatics
(2012)
4
Identifying Novel Adenosine Receptor Ligands by Simultaneous Proteochemometric Modeling of Rat and Human Bioactivity Data
GJP van Westen, OO van den Hoven, R van der Pijl, T Mulder-Krieger, H de Vries, JK Wegner, AP Ijzerman, HWT van Vlijmen, A Bender
Journal of Medicinal Chemistry
(2012)
55
Composition-structure relationships in the li-ion battery electrode material LiNi0.5Mn1.5O4e
J Cabana, M Casas-Cabanas, FO Omenya, NA Chernova, D Zeng, MS Whittingham, CP Grey
Chem Mater
(2012)
24
Theoretical Study of the Importance of the Spectator Groups on the Hydrolysis of Phosphate Triesters
JR Mora, AJ Kirby, F Nome
Journal of Organic Chemistry
(2012)
77
The use of spectroscopic imaging and mapping techniques in the characterisation and study of DLD-1 cell spheroid tumour models.
JZ Zhang, NS Bryce, R Siegele, EA Carter, D Paterson, MD de Jonge, DL Howard, CG Ryan, TW Hambley
Integrative Biology United Kingdom
(2012)
4
Noncovalent Organocatalytic Synthesis of Enantioenriched Terminal Aziridines with a Quaternary Stereogenic Center
C De Fusco, T Fuoco, G Croce, A Lattanzi
Organic letters
(2012)
14
A prototype continuous-flow liquid–liquid extraction system using open-source technology
M O'Brien, P Koos, DL Browne, SV Ley
Organic & Biomolecular Chemistry
(2012)
10