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  • Currently displaying 15021 - 15040 of 31138 publications
Author(s)
Publication title
Journal Name
Publication year
Using multiobjective optimization and energy minimization to design an isoform-selective ligand of the 14-3-3 protein
H Sanchez-Faddeev, MTM Emmerich, FJ Verbeek, AH Henry, S Grimshaw, HP Spaink, HW van Vlijmen, A Bender
Lecture Notes in Computer Science Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics
(2012)
7610 LNCS
Communication: An unusual halogen-bonding motif: the LiBr···BrF dimer as a model system.
SAC McDowell, JA Joseph
The Journal of chemical physics
(2012)
137
Solvent effects of the structures of prenucleation aggregates of carbamazepine
CA Hunter, JF McCabe, A Spitaleri
CrystEngComm
(2012)
14
Reply to Roberts et al.: Reflectivity and pointillist structural color on land and in water
S Vignolini, U Steiner, BJ Glover
Proceedings of the National Academy of Sciences
(2012)
109
Alkali/coinage metals - Organolithium, organocuprate chemistry
PJ Harford, AEH Wheatley
ORGANOMETALLIC CHEMISTRY, VOL 38
(2012)
38
Group 2 (Be–Ba) and group 12 (Zn–Hg)
SBJ Dane, TC King, DS Wright
ORGANOMETALLIC CHEMISTRY, VOL 38
(2012)
38
Mesoporous hollow sphere titanium dioxide photocatalysts through hydrothermal silica etching
T Leshuk, S Linley, G Baxter, F Gu
ACS applied materials & interfaces
(2012)
4
FeCl3‐Mediated Friedel–Crafts Hydroarylation with Electrophilic N‐Acetyl Indoles for the Synthesis of Benzofuroindolines
R Beaud, R Guillot, C Kouklovsky, G Vincent
Angew Chem Int Ed Engl
(2012)
51
Generation of 2D organic microsheets from protonated melamine derivatives: Suppression of the self assembly of a particular dimension by introduction of alkyl chains
J Xu, G Wu, Z Wang, X Zhang
Chemical Science
(2012)
3
Spiers memorial lecture: Effect of interaction specificity on the phase behaviour of patchy particles
N Dorsaz, L Filion, F Smallenburg, D Frenkel
Faraday Discussions
(2012)
159
Triggered insulin release studies of triply responsive supramolecular micelles
XJ Loh, M-H Tsai, J del Barrio, EA Appel, T-C Lee, OA Scherman
Polymer Chemistry
(2012)
3
Structural transition in rare earth doped zirconium oxide: A positron annihilation study
K Chakraborty, A Bisoi, BN Ganguly, V Grover, FN Sayed, AK Tyagi
Materials Research Bulletin
(2012)
47
Reconstructed Ribbon Edges in Thermally Reduced Graphene Nanoribbons
M Acik, J Carretero-González, E Castillo-Martínez, DM Rogers, R Guzman, RH Baughman, YJ Chabal
Journal of Physical Chemistry C
(2012)
116
Nuclear quantum effects on the stability of cationic neon clusters
F Calvo, FY Naumkin, DJ Wales
Chemical Physics Letters
(2012)
551
Molecular characterization of the interaction of crotamine-derived nucleolar targeting peptides with lipid membranes
M Rodrigues, A Santos, BG de la Torre, G Rádis-Baptista, D Andreu, NC Santos
Biochim Biophys Acta
(2012)
1818
PaDEL-DDPredictor: open-source software for PD-PK-T prediction.
Y He, CY Liew, N Sharma, SK Woo, YT Chau, CW Yap
Journal of Computational Chemistry
(2012)
34
Cheminformatics
JK Wegner, A Sterling, R Guha, A Bender, J-L Faulon, J Hastings, N O'Boyle, J Overington, H Van Vlijmen, E Willighagen
Communications of the ACM
(2012)
55
The Influence of Water and Metal Ions on the Transport Properties of Trihexyl(tetradecyl)phosphonium Chloride
PM Bayley, J Novak, T Khoo, MM Britton, PC Howlett, DR Macfarlane, M Forsyth
Australian Journal of Chemistry
(2012)
65
Felodipine-diaza-bicyclo-[2.2.2]octa-ne-water (1/1/1)
KA Solanko, AO Surov, GL Perlovich, A Bauer-Brandl, AD Bond
Acta Crystallographica Section C: Structural Chemistry
(2012)
68
An explicitly correlated approach to basis set incompleteness in full configuration interaction quantum Monte Carlo.
GH Booth, D Cleland, A Alavi, DP Tew
J Chem Phys
(2012)
137