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  • Currently displaying 15501 - 15520 of 31566 publications
Author(s)
Publication title
Journal Name
Publication year
Note on naive Bayes based on binary descriptors in cheminformatics.
JA Townsend, RC Glen, HY Mussa
Journal of Chemical Information and Modeling
(2012)
52
Beryllium cluster cages endohedrally doped by hydrogen: H 2@Be n (8 ≤ n ≤ 14)
FY Naumkin, DJ Wales
International Journal of Quantum Chemistry
(2012)
112
Ball-of-Yarn Conformation of a Linear Gradient Copolymer in a Homopolymer Melt
NB Tito, ST Milner, JEG Lipson
Macromolecules
(2012)
45
7,7′-Diamino-2,2′-diindolylmethane: A Building Block for Highly Efficient and Selective Anion ReceptorsuStudies in Solution and in the Solid State
P Dydio, D Lichosyt, T Zieliński, J Jurczak
Chemistry A European Journal
(2012)
18
Electronic structure tuning of new fused thieno[3,2-b]thieno bisthiophene based polymers via alkyl chain and Group IV heteroatom modulation
BC Schroeder, H Bronstein, RS Ashraf, W Zhang, Z Huang, PS Tuladhar, TD Anthopoulos, JR Durrant, I McCulloch
SPIE Proceedings
(2012)
8477
Domain-domain interactions in full-length p53 and a specific DNA complex probed by methyl NMR spectroscopy
M Bista, SM Freund, AR Fersht
Proceedings of the National Academy of Sciences of the United States of America
(2012)
109
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
Anal Bioanal Chem
(2012)
405
Quasi-Continuous Interpolation Scheme for Pathways between Distant Configurations
DJ Wales, JM Carr
Journal of Chemical Theory and Computation
(2012)
8
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
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
Journal of the American Chemical Society
(2012)
134
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
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
Nonsmooth geometry and collapse of flexible structures under smooth loads
G Csanyi, G Domokos
(2012)
Mean-field theory of the phase diagram of ultrasoft, oppositely charged polyions in solution.
A Nikoubashman, J-P Hansen, G Kahl
J Chem Phys
(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
Mol Inform
(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
The Journal of biological chemistry
(2012)
287
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
Biomedizinische Technik. Biomedical engineering
(2012)
57 Suppl 1
Hsp90: Structure and function
SE Jackson
Top Curr Chem
(2012)
328