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- Currently displaying 13821 - 13840 of 29644 publications
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)
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)
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)
Pointillist structural color in Pollia fruit
Proc Natl Acad Sci U S A
(2012)
109
15712
(doi: 10.1073/pnas.1210105109)
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)
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)
Using ligand-mapping simulations to design a ligand selectively targeting a cryptic surface pocket of polo-like kinase 1.
Angewandte Chemie International Edition
(2012)
51
10078
(doi: 10.1002/anie.201205676)
Probability Based hERG Blocker Classifiers
Molecular Informatics
(2012)
31
679
(doi: 10.1002/minf.201200011)
Alternative splicing of a protein domain indispensable for function of transient receptor potential melastatin 3 (TRPM3) ion channels
Journal of Biological Chemistry
(2012)
287
36663
(doi: 10.1074/jbc.M112.396663)
Development of a Phantom to Modulate the Maternal and Fetal Pulse Curve for Pulse Oximetry Measurements
Biomed Tech (Berl)
(2012)
57 Suppl 1
/j/bmte.2012.57.issue-s1-O/bmt-2012-4204/bmt-2012-
(doi: 10.1515/bmt-2012-4204)
Examining basilar membrane motion of an auditory model by using tone-burst otoacoustic emissions.
Biomedical Engineering / Biomedizinische Technik
(2012)
57 Suppl 1
285
(doi: 10.1515/bmt-2012-4145)
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)
Efficient Long-Range Stereochemical Communication and Cooperative Effects in Self-Assembled Fe4L6 Cages
J Am Chem Soc
(2012)
134
15528
(doi: 10.1021/ja306615d)
Predicting genes involved in human cancer using network contextual information.
J Integr Bioinform
(2012)
9
210
(doi: 10.2390/biecoll-jib-2012-210)
Inclusion of many-body effects in the additive CHARMM protein CMAP potential results in enhanced cooperativity of α-helix and β-hairpin formation
Biophys J
(2012)
103
1045
(doi: 10.1016/j.bpj.2012.07.042)
Synthesis of Enantiomerically Enriched 3‑Amino-2-oxindoles through a Palladium-Mediated Asymmetric Intramolecular Arylation of α‑Ketimino Amides
Organic letters
(2012)
14
4810
(doi: 10.1021/ol302119j)
Characterization of zn-containing metal-organic frameworks by solid-state 67Zn NMR spectroscopy and computational modeling
Chemistry - A European Journal
(2012)
18
12251
(doi: 10.1002/chem.201201563)
Effect of multiple group orientations on sum frequency generation spectra
Molecular Physics
(2012)
111
173
(doi: 10.1080/00268976.2012.711492)