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- Currently displaying 14401 - 14420 of 30236 publications
The semantics of Chemical Markup Language (CML) for computational chemistry : CompChem
Journal of cheminformatics
(2012)
4
15
(doi: 10.1186/1758-2946-4-15)
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
Acta Crystallographica Section A: Foundations and advances
(2012)
68
S27
(doi: 10.1107/S0108767312099473)
Four-site cooperative spin crossover in polymorphs of a mononuclear FeIIcomplex
Acta Crystallographica Section A: Foundations and advances
(2012)
68
S78
(doi: 10.1107/S0108767312098492)
Solution and Solid-State Supramolecular Chemistry of Naphthalenediimides
Acta Crystallographica Section A Foundations of Crystallography
(2012)
68
s116
(doi: 10.1107/s0108767312097759)
Halide Anions as Shape-Directing Agents for Obtaining High-Quality Anisotropic Gold Nanostructures
Chemistry of Materials
(2012)
25
1392
(doi: 10.1021/cm3020397)
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
J Chem Theory Comput
(2012)
8
3257
(doi: 10.1021/ct300400x)
Continuous Multiple Liquid–Liquid Separation: Diazotization of Amino Acids in Flow
Organic Letters
(2012)
14
4246
(doi: 10.1021/ol301930h)
Fabrication of microgel particles with complex shape via selective polymerization of aqueous Ttwo-phase systems.
Small (Weinheim an der Bergstrasse, Germany)
(2012)
8
2356
(doi: 10.1002/smll.201102715)
ADP ribosylation adapts an ER chaperone response to short-term fluctuations in unfolded protein load
Journal of Cell Biology
(2012)
198
371
(doi: 10.1083/jcb.201202005)
Kinetic mechanism of p53 oncogenic mutant aggregation and its inhibition.
Proceedings of the National Academy of Sciences
(2012)
109
13584
(doi: 10.1073/pnas.1211550109)
First-order rate-determining aggregation mechanism of p53 and its implications
Proc Natl Acad Sci U S A
(2012)
109
13590
(doi: 10.1073/pnas.1211557109)
Expanding the genetic code of Drosophila melanogaster.
Nat Chem Biol
(2012)
8
748
(doi: 10.1038/nchembio.1043)
Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism
Nat Chem
(2012)
4
751
(doi: 10.1038/NCHEM.1407)
On the Increase in Boundary Friction with Sliding Speed
Tribology Letters
(2012)
48
237
(doi: 10.1007/s11249-012-0019-4)
Quantification of chemical and physical processes influencing ozone during long-range transport using a trajectory ensemble
Atmospheric Chemistry and Physics
(2012)
12
7015
(doi: 10.5194/acp-12-7015-2012)
Theoretical study of the importance of the spectator groups on the hydrolysis of phosphate triesters
The Journal of organic chemistry
(2012)
77
7061
(doi: 10.1021/jo301380v)
Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data
Journal of medicinal chemistry
(2012)
55
7010
(doi: 10.1021/jm3003069)
Composition-structure relationships in the Li-ion battery electrode material LiNi(0.5)Mn(1.5)O(4).
Chemistry of materials : a publication of the American Chemical Society
(2012)
24
2952
(doi: 10.1021/cm301148d)
The use of spectroscopic imaging and mapping techniques in the characterisation and study of DLD-1 cell spheroid tumour models
Integrative Biology
(2012)
4
1072
(doi: 10.1039/c2ib20121f)