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- Currently displaying 13261 - 13280 of 29474 publications
Note on naive Bayes based on binary descriptors in cheminformatics.
– J Chem Inf Model
(2012)
52,
2494
(doi: 10.1021/ci200303m)
Slow spontaneous α-to-β structural conversion in a non-denaturing neutral condition reveals the intrinsically disordered property of the disulfide-reduced recombinant mouse prion protein.
– Prion
(2012)
6,
489
(doi: 10.4161/pri.22217)
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)
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
(2012)
18,
13686
(doi: 10.1002/chem.201201909)
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,
847709-847709-5
(doi: 10.1117/12.929622)
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)
Quasi-Continuous Interpolation Scheme for Pathways between Distant Configurations.
– J Chem Theory Comput
(2012)
8,
5020
(doi: 10.1021/ct3004832)
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)
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)
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)
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)
Pointillist structural color in Pollia fruit.
– Proceedings of the National Academy of Sciences of the United States of America
(2012)
109,
15712
(doi: 10.1073/pnas.1210105109)
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)
Probability Based hERG Blocker Classifiers
– Molecular Informatics
(2012)
31,
679
(doi: 10.1002/minf.201200011)
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)
Alternative Splicing of a Protein Domain Indispensable for Function of Transient Receptor Potential Melastatin 3 (TRPM3) Ion Channels
– The Journal of biological chemistry
(2012)
287,
36663
(doi: 10.1074/jbc.m112.396663)
Using Ligand‐Mapping Simulations to Design a Ligand Selectively Targeting a Cryptic Surface Pocket of Polo‐Like Kinase 1
– Angewandte Chemie (International ed. in English)
(2012)
51,
10078
(doi: 10.1002/anie.201205676)
A general theory of DNA-mediated and other valence-limited colloidal interactions
– The Journal of Chemical Physics
(2012)
137,
094108
(doi: 10.1063/1.4748100)