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  • Currently displaying 13841 - 13860 of 29639 publications
Author(s)
Publication title
Journal Name
Publication year
Quasi-Continuous Interpolation Scheme for Pathways between Distant Configurations.
DJ Wales, JM Carr
Journal of chemical theory and computation
(2012)
8
UHPLC-DAD method for the determination of neonicotinoid insecticides in single bees and its relevance in honeybee colony loss investigations
A Tapparo, C Giorio, L Soldà, S Bogialli, D Marton, M Marzaro, V Girolami
Analytical and bioanalytical chemistry
(2012)
405
Synthesis and antibacterial and antifungal evaluation of some chalcone based sulfones and bisulfones.
NK Konduru, S Dey, M Sajid, M Owais, N Ahmed
European Journal of Medicinal Chemistry
(2012)
59
Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
SA Hudson, KJ McLean, S Surade, Y-Q Yang, D Leys, A Ciulli, AW Munro, C Abell
Angewandte Chemie (International ed. in English)
(2012)
51
Pointillist structural color in Pollia fruit.
S Vignolini, PJ Rudall, AV Rowland, A Reed, E Moyroud, RB Faden, JJ Baumberg, BJ Glover, U Steiner
Proceedings of the National Academy of Sciences
(2012)
109
Release of high-energy water as an essential driving force for the high-affinity binding of cucurbit[n]urils.
F Biedermann, VD Uzunova, OA Scherman, WM Nau, A De Simone
J Am Chem Soc
(2012)
134
Full Configuration Interaction Excitations of Ethene and Butadiene: Resolution of an Ancient Question.
C Daday, S Smart, GH Booth, A Alavi, C Filippi
Journal of chemical theory and computation
(2012)
8
Mean-field theory of the phase diagram of ultrasoft, oppositely charged polyions in solution
A Nikoubashman, J-P Hansen, G Kahl
The Journal of chemical physics
(2012)
137
Probability Based hERG Blocker Classifiers.
Z Wang, HY Mussa, R Lowe, RC Glen, A Yan
Molecular informatics
(2012)
31
Using ligand-mapping simulations to design a ligand selectively targeting a cryptic surface pocket of polo-like kinase 1.
YS Tan, P Śledź, S Lang, CJ Stubbs, DR Spring, C Abell, RB Best
Angew Chem Int Ed Engl
(2012)
51
Alternative splicing of a protein domain indispensable for function of transient receptor potential melastatin 3 (TRPM3) ion channels
J Frühwald, J Camacho Londoño, S Dembla, S Mannebach, A Lis, A Drews, U Wissenbach, J Oberwinkler, SE Philipp
Journal of Biological Chemistry
(2012)
287
Examining basilar membrane motion of an auditory model by using tone-burst otoacoustic emissions
S Ley, A Chilian, T Harczos, A Katai, F Klefenz, P Husar
Biomedizinische Technik. Biomedical engineering
(2012)
57
Development of a Phantom to Modulate the Maternal and Fetal Pulse Curve for Pulse Oximetry Measurements
S Weyrich, S Sprenger, M Böttrich, P Schmidt, D Laqua, S Ley, P Husar
Biomedical Engineering / Biomedizinische Technik
(2012)
57 Suppl 1
A general theory of DNA-mediated and other valence-limited colloidal interactions
P Varilly, S Angioletti-Uberti, BM Mognetti, D Frenkel
The Journal of Chemical Physics
(2012)
137
Efficient Long-Range Stereochemical Communication and Cooperative Effects in Self-Assembled Fe4L6 Cages
N Ousaka, S Grunder, AM Castilla, AC Whalley, JF Stoddart, JR Nitschke
Journal of the American Chemical Society
(2012)
134
Inclusion of many-body effects in the additive CHARMM protein CMAP potential results in enhanced cooperativity of α-helix and β-hairpin formation.
RB Best, J Mittal, M Feig, AD MacKerell
Biophys J
(2012)
103
Synthesis of Enantiomerically Enriched 3‑Amino-2-oxindoles through a Palladium-Mediated Asymmetric Intramolecular Arylation of α‑Ketimino Amides
P Tolstoy, SXY Lee, C Sparr, SV Ley
Org Lett
(2012)
14
Effect of multiple group orientations on sum frequency generation spectra
PJN Kett, MTL Casford, PB Davies
Molecular Physics
(2012)
111
Characterization of zn-containing metal-organic frameworks by solid-state 67Zn NMR spectroscopy and computational modeling
A Sutrisno, VV Terskikh, Q Shi, Z Song, J Dong, SY Ding, W Wang, BR Provost, TD Daff, TK Woo, Y Huang
Chemistry - A European Journal
(2012)
18
Applications of small molecule activators and inhibitors of quorum sensing in Gram-negative bacteria
WRJD Galloway, JT Hodgkinson, S Bowden, M Welch, DR Spring
Trends in Microbiology
(2012)
20