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  • Currently displaying 13821 - 13840 of 29644 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
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
Pointillist structural color in Pollia fruit
S Vignolini, PJ Rudall, AV Rowland, A Reed, E Moyroud, RB Faden, JJ Baumberg, BJ Glover, U Steiner
Proc Natl Acad Sci U S A
(2012)
109
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
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
Angewandte Chemie International Edition
(2012)
51
Probability Based hERG Blocker Classifiers
Z Wang, HY Mussa, R Lowe, RC Glen, A Yan
Molecular Informatics
(2012)
31
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
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
Biomed Tech (Berl)
(2012)
57 Suppl 1
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 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
J Am Chem Soc
(2012)
134
Predicting genes involved in human cancer using network contextual information.
H Rahmani, H Blockeel, A Bender
J Integr Bioinform
(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
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
Organic letters
(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