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  • Currently displaying 14341 - 14360 of 31149 publications
Author(s)
Publication title
Journal Name
Publication year
In silico target predictions: Defining a benchmarking data set and comparison of performance of the multiclass Naïve Bayes and Parzen-Rosenblatt Window
A Koutsoukas, R Lowe, Y Kalantarmotamedi, HY Mussa, W Klaffke, JBO Mitchell, RC Glen, A Bender
Journal of chemical information and modeling
(2013)
53
Catalyst‐Controlled Highly Selective Coupling and Oxygenation of Olefins: A Direct Approach to Alcohols, Ketones, and Diketones
Y Su, X Sun, G Wu, N Jiao
Angew Chem Int Ed Engl
(2013)
52
Energy landscapes and global thermodynamics for alanine peptides
S Somani, DJ Wales
The Journal of chemical physics
(2013)
139
Magnetic and Conducting Properties of Composites of Conducting Polymers and Ferrite Nanoparticles
IM Resta, G Horwitz, MLM Elizalde, GA Jorge, FV Molina, PS Antonel
IEEE Transactions on Magnetics
(2013)
49
Computer-aided (in silico) approaches in the mode-of-action analysis and safety assessment of Ostarine and 4-methylamphetamine
F Mohd Fauzi, A Koutsoukas, A Cunningham, A Gallegos, R Sedefov, A Bender
Human Psychopharmacology: Clinical and Experimental
(2013)
28
Role of methyl-induced polarization in ion binding
M Rossi, A Tkatchenko, SB Rempe, S Varma
Proceedings of the National Academy of Sciences
(2013)
110
Dehydrogenative Boron Homocoupling of an Amine‐Borane
HC Johnson, CL McMullin, SD Pike, SA Macgregor, AS Weller
Angew Chem Int Ed Engl
(2013)
52
Identification of small-molecule binding pockets in the soluble monomeric form of the Aβ42 peptide
M Zhu, A De Simone, D Schenk, G Toth, CM Dobson, M Vendruscolo
J Chem Phys
(2013)
139
Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
HL Silvestre, TL Blundell, C Abell, A Ciulli
Proc Natl Acad Sci U S A
(2013)
110
A NOTE ON HIGH ASPECT-RATIO SU-8 MICROMECHANICAL STRUCTURES USING MASK-LESS DIRECT LASER WRITING
S Ghosh, GK Ananthasuresh
PROCEEDINGS OF THE ASME INTERNATIONAL MANUFACTURING SCIENCE AND ENGINEERING CONFERENCE, 2012
(2013)
Selective inhibition of the unfolded protein response: targeting catalytic sites for Schiff base modification.
SM Tomasio, HP Harding, D Ron, BCS Cross, PJ Bond
Mol Biosyst
(2013)
9
A single gD glycoprotein can mediate infection by Herpes simplex virus.
RW Clarke, A Drews, H Browne, D Klenerman
Journal of the American Chemical Society
(2013)
135
High sensitive elemental analysis of single yeast cells (saccharomyces cerevisiae) by time-resolved inductively-coupled plasma mass spectrometry using a high efficiency cell introduction system
AS Groombridge, S-I Miyashita, S-I Fujii, K Nagasawa, T Okahashi, M Ohata, T Umemura, A Takatsu, K Inagaki, K Chiba
Anal Sci
(2013)
29
Accounting for adsorption and desorption in lattice Boltzmann simulations
M Levesque, M Duvail, I Pagonabarraga, D Frenkel, B Rotenberg
Physical review. E, Statistical, nonlinear, and soft matter physics
(2013)
88
Pharmacokinetic modelling of the anti-malarial drug artesunate and its active metabolite dihydroartemisinin.
AJ Hall, MJ Chappell, JAD Aston, SA Ward
Comput Methods Programs Biomed
(2013)
112
Alkyl Chain Extension as a Route to Novel Thieno[3,2‑b]thiophene Flanked Diketopyrrolopyrrole Polymers for Use in Organic Solar Cells and Field Effect Transistors
I Meager, RS Ashraf, S Rossbauer, H Bronstein, JE Donaghey, J Marshall, BC Schroeder, M Heeney, TD Anthopoulos, I McCulloch
Macromolecules
(2013)
46
A Self‐Assembled [FeII12L12] Capsule with an Icosahedral Framework
RA Bilbeisi, TK Ronson, JR Nitschke
Angewandte Chemie
(2013)
125
Structure of the chloride- and bromide-intercalated layered double hydroxides of Li and Al - Interplay of coulombic and hydrogen-bonding interactions in the interlayer gallery
S Nagendran, PV Kamath
European Journal of Inorganic Chemistry
(2013)
2013
A case for oxygen deficiency in Gd2Ti2- xZrxO7 pyrochlore-type oxides
JDS Walker, JR Hayes, MW Gaultois, ER Aluri, AP Grosvenor
Journal of Alloys and Compounds
(2013)
565
Precise supramolecular control of selectivity in the Rh-catalyzed hydroformylation of terminal and internal alkenes.
P Dydio, RJ Detz, JNH Reek
J Am Chem Soc
(2013)
135