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- Currently displaying 13501 - 13520 of 29308 publications
Note on naive Bayes based on binary descriptors in cheminformatics.
Journal of chemical information and modeling
(2012)
52
2494
(doi: 10.1021/ci200303m)
Back Cover: Characterization of Zn‐Containing Metal–Organic Frameworks by Solid‐State 67Zn NMR Spectroscopy and Computational Modeling (Chem. Eur. J. 39/2012)
Chemistry – A European Journal
(2012)
18
12532
(doi: 10.1002/chem.201290171)
Understanding the multistate SET process in Ge-Sb-Te-based phase-change memory
Journal of Applied Physics
(2012)
112
064901
(doi: 10.1063/1.4748961)
Beryllium cluster cages endohedrally doped by hydrogen: H 2@Be n (8 ≤ n ≤ 14)
International Journal of Quantum Chemistry
(2012)
112
3068
(doi: 10.1002/qua.24235)
Ball-of-Yarn Conformation of a Linear Gradient Copolymer in a Homopolymer Melt
Macromolecules
(2012)
45
7607
(doi: 10.1021/ma3011558)
Electronic structure tuning of new fused thieno[3,2-b]thieno bisthiophene based polymers via alkyl chain and Group IV heteroatom modulation
Proceedings of SPIE the International Society for Optical Engineering
(2012)
8477
847709
(doi: 10.1117/12.929622)
7,7'-Diamino-2,2'-diindolylmethane: a building block for highly efficient and selective anion receptors-studies in solution and in the solid state.
Chemistry (Weinheim an der Bergstrasse, Germany)
(2012)
18
13686
(doi: 10.1002/chem.201201909)
Domain-domain interactions in full-length p53 and a specific DNA complex probed by methyl NMR spectroscopy.
Proceedings of the National Academy of Sciences
(2012)
109
15752
(doi: 10.1073/pnas.1214176109)
UHPLC-DAD method for the determination of neonicotinoid insecticides in single bees and its relevance in honeybee colony loss investigations
Analytical and bioanalytical chemistry
(2012)
405
1007
(doi: 10.1007/s00216-012-6338-3)
Quasi-continuous interpolation scheme for pathways between distant configurations
Journal of chemical theory and computation
(2012)
8
5020
(doi: 10.1021/ct3004832)
Synthesis and antibacterial and antifungal evaluation of some chalcone based sulfones and bisulfones.
European journal of medicinal chemistry
(2012)
59
23
(doi: 10.1016/j.ejmech.2012.09.004)
Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew Chem Int Ed Engl
(2012)
51
9311
(doi: 10.1002/anie.201202544)
Pointillist structural color in Pollia fruit
Proceedings of the National Academy of Sciences
(2012)
109
15712
(doi: 10.1073/pnas.1210105109)
Release of High-Energy Water as an Essential Driving Force for the High-Affinity Binding of Cucurbit[n]urils
J Am Chem Soc
(2012)
134
15318
(doi: 10.1021/ja303309e)
Alternative splicing of a protein domain indispensable for function of transient receptor potential melastatin 3 (TRPM3) ion channels.
J Biol Chem
(2012)
287
36663
(doi: 10.1074/jbc.M112.396663)
Mean-field theory of the phase diagram of ultrasoft, oppositely charged polyions in solution
The Journal of Chemical Physics
(2012)
137
094905
(doi: 10.1063/1.4748378)
Probability Based hERG Blocker Classifiers.
Molecular Informatics
(2012)
31
679
(doi: 10.1002/minf.201200011)
Using ligand-mapping simulations to design a ligand selectively targeting a cryptic surface pocket of polo-like kinase 1.
Angew Chem Int Ed Engl
(2012)
51
10078
(doi: 10.1002/anie.201205676)
Full configuration interaction excitations of ethene and butadiene: Resolution of an ancient question
Journal of Chemical Theory and Computation
(2012)
8
4441
(doi: 10.1021/ct300486d)
