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  • Currently displaying 12621 - 12640 of 29910 publications
Author(s)
Publication title
Journal Name
Publication year
Extensions to in silico bioactivity predictions using pathway annotations and differential pharmacology analysis: Application to xenopus laevis phenotypic readouts
S Liggi, G Drakakis, AE Hendry, KM Hanson, SC Brewerton, GN Wheeler, MJ Bodkin, DA Evans, A Bender
Molecular informatics
(2013)
32
Regional and global impacts of Criegee intermediates on atmospheric sulphuric acid concentrations and first steps of aerosol formation
CJ Percival, O Welz, AJ Eskola, JD Savee, DL Osborn, DO Topping, D Lowe, SR Utembe, A Bacak, G McFiggans, MC Cooke, P Xiao, AT Archibald, ME Jenkin, RG Derwent, I Riipinen, DWK Mok, EPF Lee, JM Dyke, CA Taatjes, DE Shallcross
Faraday Discuss
(2013)
165
Nanostructure determination from the pair distribution function: A parametric study of the INVERT approach
MJ Cliffe, AL Goodwin
J Phys Condens Matter
(2013)
25
Concise copper-catalyzed synthesis of tricyclic biaryl ether-linked aza-heterocyclic ring systems.
P Mestichelli, MJ Scott, WRJD Galloway, J Selwyn, JS Parker, DR Spring
Organic Letters
(2013)
15
Postclustering Dynamic Covalent Modification for Chirality Control and Chiral Sensing
Y Yang, X-L Pei, Q-M Wang
Journal of the American Chemical Society
(2013)
135
Direct band gap optical emission from compressively strained Ge films grown on relaxed Si0.5Ge0.5 substrate
R Aluguri, S Manna, SK Ray
Applied Physics Letters
(2013)
103
On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures
B Santra, J Klimes, A Tkatchenko, D Alfè, B Slater, A Michaelides, R Car, M Scheffler
The Journal of chemical physics
(2013)
139
Combining solvent thermodynamic profiles with functionality maps of the Hsp90 binding site to predict the displacement of water molecules.
K Haider, DJ Huggins
Journal of Chemical Information and Modeling
(2013)
53
Synthesis of highly basic hexasubstituted biguanides by environmentally friendly methods
D Margetić, M Eckert-Maksić, Z Glasovac, P Trošelj, I Jušinski
Synlett
(2013)
24
MDMX contains an autoinhibitory sequence element.
M Bista, M Petrovich, AR Fersht
Proc Natl Acad Sci U S A
(2013)
110
ChemInform Abstract: Pd‐Cu‐Catalyzed Synthesis of N‐(2E,4)‐ and N‐(2Z,4)‐Enyne Cyclic Amines.
AS Sunagatullina, RN Shakhmaev, VV Zorin
ChemInform
(2013)
44
Hunt for geometric phase effects in H + HD → HD(v′, j′) + H
J Jankunas, M Sneha, RN Zare, F Bouakline, SC Althorpe
Journal of Chemical Physics
(2013)
139
Permanent porosity derived from the self-assembly of highly luminescent molecular zinc carbonate nanoclusters.
K Sokołowski, W Bury, I Justyniak, D Fairen-Jimenez, K Sołtys, D Prochowicz, S Yang, M Schröder, J Lewiński
Angewandte Chemie International Edition
(2013)
52
Modeling of proteins and their assemblies with the Integrative Modeling Platform.
B Webb, K Lasker, J Velázquez-Muriel, D Schneidman-Duhovny, R Pellarin, M Bonomi, C Greenberg, B Raveh, E Tjioe, D Russel, A Sali
Methods Mol Biol
(2013)
1091
Palladium‐Catalyzed Synthesis of Benzofurans and Coumarins from Phenols and Olefins
U Sharma, T Naveen, A Maji, S Manna, D Maiti
Angewandte Chemie
(2013)
125
Palladium-catalyzed synthesis of benzofurans and coumarins from phenols and olefins.
U Sharma, T Naveen, A Maji, S Manna, D Maiti
Angew Chem Int Ed Engl
(2013)
52
Dynamical correlations in a glass former with randomly pinned particles
RL Jack, CJ Fullerton
Phys Rev E Stat Nonlin Soft Matter Phys
(2013)
88
Temperature measurements with two different IR sensors in a continuous-flow microwave heated system.
J Rydfjord, F Svensson, M Fagrell, J Sävmarker, M Thulin, M Larhed
Beilstein Journal of Organic Chemistry
(2013)
9
Hunt for geometric phase effects in H + HD → HD(v′, j′) + H
J Jankunas, M Sneha, RN Zare, F Bouakline, SC Althorpe
The Journal of chemical physics
(2013)
139
Local Environments of Dilute Activator Ions in the Solid-State Lighting Phosphor Y3–xCexAl5O12
NC George, AJ Pell, G Dantelle, K Page, A Llobet, M Balasubramanian, G Pintacuda, BF Chmelka, R Seshadri
Chemistry of Materials
(2013)
25