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  • Currently displaying 14681 - 14700 of 30637 publications
Author(s)
Publication title
Journal Name
Publication year
Quasi-Continuous Interpolation Scheme for Pathways between Distant Configurations
DJ Wales, JM Carr
J Chem Theory Comput
(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
Angew Chem Int Ed Engl
(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
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
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
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
J Biol Chem
(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
Biomedical Engineering / Biomedizinische Technik
(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
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
Predicting genes involved in human cancer using network contextual information.
H Rahmani, H Blockeel, A Bender
Journal of Integrative Bioinformatics
(2012)
9
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
Biophysical journal
(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
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
Effect of multiple group orientations on sum frequency generation spectra
PJN Kett, MTL Casford, PB Davies
Molecular Physics
(2012)
111