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- Currently displaying 14781 - 14800 of 30637 publications
Complementing High-Throughput X-ray Powder Diffraction Data With Quantum–Chemical Calculations: Application to Piroxicam Form III
Journal of Pharmaceutical Sciences
(2012)
101
4214
(doi: 10.1002/jps.23287)
Discovery of novel allosteric inhibitors of HCV NS3/4a enzyme via structure-based drug design
Acta Crystallographica Section A Foundations of Crystallography
(2012)
68
s27
(doi: 10.1107/S0108767312099473)
A novel approach to crystal structure determination for organic compounds.
Acta Crystallographica Section A: Foundations and advances
(2012)
68
S109
(doi: 10.1107/s0108767312097899)
Four-Site Cooperative Spin Crossover in Polymorphs of a Mononuclear Fe(II) Complex
Acta Crystallographica Section A Foundations of Crystallography
(2012)
68
s78
(doi: 10.1107/S0108767312098492)
Solution and solid-state supramolecular chemistry of naphthalenediimides
Acta Crystallographica Section A: Foundations and advances
(2012)
68
S116
(doi: 10.1107/S0108767312097759)
The semantics of Chemical Markup Language (CML) for computational chemistry: CompChem
Journal of cheminformatics
(2012)
4
15
(doi: 10.1186/1758-2946-4-15)
Halide Anions as Shape-Directing Agents for Obtaining High-Quality Anisotropic Gold Nanostructures
Chemistry of Materials
(2012)
25
1392
(doi: 10.1021/cm3020397)
Continuous Multiple Liquid-Liquid Separation: Diazotization of Amino Acids in Flow
Organic letters
(2012)
14
4246
(doi: 10.1021/ol301930h)
Optimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone φ, ψ and side-chain χ(1) and χ(2) dihedral angles.
J Chem Theory Comput
(2012)
8
3257
(doi: 10.1021/ct300400x)
Fabrication of microgel particles with complex shape via selective polymerization of aqueous two-phase systems
Small
(2012)
8
2356
(doi: 10.1002/smll.201102715)
First-order rate-determining aggregation mechanism of p53 and its implications.
Proceedings of the National Academy of Sciences of the United States of America
(2012)
109
13590
(doi: 10.1073/pnas.1211557109)
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)
ADP ribosylation adapts an ER chaperone response to short-term fluctuations in unfolded protein load
J Cell Biol
(2012)
198
371
(doi: 10.1083/jcb.201202005)
Expanding the genetic code of Drosophila melanogaster.
Nature chemical biology
(2012)
8
748
(doi: 10.1038/nchembio.1043)
Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism
Nature chemistry
(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)
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)
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)