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  • Currently displaying 18601 - 18620 of 29871 publications
Author(s)
Publication title
Journal Name
Publication year
INOR 857-Supramolecular functionalization: A method to construct and decorate isoreticular metal-organic frameworks
CL Mertzenich, GS Papaefstathiou, T Friscic, DC Swenson, LR MacGillivray
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
INOR 899-Electron-transfer activation of anionic ruthenium(III) anticancer drugs
E Reisner, VB Arion, BK Keppler, AJL Pombeiro
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
"Phylochemical Tree" for drug targets: Putting biological activities into context via ligand-based similarity measures
A Bender, JL Jenkins, JW Davies
ABSTR PAP AM CHEM S
(2007)
234
Prediction of small molecule targets based on protein domains: Extrapolation into unknown target space
JL Jenkins, A Bender, D Mikhailov
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
Side effect profile prediction: Computational tackling of big pharma's worst nightmare at an early stage
J Scheiber, JL Jenkins, A Bender, S Whitebread, J Hamon, L Urban, K Azzaoui, JH Nettles, M Glick, JW Davies
ABSTR PAP AM CHEM S
(2007)
234
COLL 215-Switching on the dipole: A new principle for the self-assembly of asymmetric monomers on metal surfaces
OPH Vaughan, A Alavi, FJ Williams, RM Lambert
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
COMP 69-Is the surface of neat water neutral, acidic, or basic?
R Vacha, V Buch, A Milet, JP Devlin, P Jungwirth
ABSTR PAP AM CHEM S
(2007)
234
COMP 158-Automated combinatorial alignment for 3-D similarity searching
JH Nettles, JL Jenkins, Z Deng, A Bender, JW Davies, M Glick
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
COMP 492-Caught in atomistic detailed action: Modeling of protein-G monomers forming oligomers
JM Bui, J Gsponer, JC Wooley, M Vendruscolo, JA McCammon, CM Dobson
ABSTR PAP AM CHEM S
(2007)
234
COMP 495-Tautomers, conformers, and computation of chemical similarity
JH Nettles, JL Jenkins, Z Deng, A Bender, J Scheiber, JW Davies, M Glick
ABSTR PAP AM CHEM S
(2007)
234
Exploring energy landscapes with explicit and implicit water
DJ Wales
ABSTR PAP AM CHEM S
(2007)
234
Unexpected relaxation dynamics of a self-avoiding polymer in cylindrical confinement
A Arnold, B Bozorgui, D Frenkel, B-Y Ha, S Jun
(2007)
Transmission of binding information across lipid bilayers
HP Dijkstra, JJ Hutchinson, CA Hunter, H Qin, S Tomas, SJ Webb, NH Williams
Chemistry A European Journal
(2007)
13
Parallelizable split-operator propagator for treating Coriolis-coupled quantum dynamics
MT Cvitas, SC Althorpe
Computer Physics Communications
(2007)
177
The derivation of hydrogen‐containing radical concentrations from satellite data sets
JA Pyle, AM Zavody
Quarterly Journal of the Royal Meteorological Society
(2007)
111
Simulating ice nucleation, one molecule at a time, with the 'DFT microscope'.
A Michaelides
Faraday Discuss
(2007)
136
Interactions of 4-Chlorophenol with TiO2 Polycrystalline Surfaces:  A Study of Environmental Interfaces by NEXAFS, XPS, and UPS
A Orlov, DJ Watson, FJ Williams, M Tikhov, RM Lambert
Langmuir : the ACS journal of surfaces and colloids
(2007)
23
NMR, PDF and RMC study of the positive electrode material Li(Ni0.5Mn0.5)O2 synthesized by ion-exchange methods
J Bréger, K Kang, J Cabana, G Ceder, CP Grey
Journal of Materials Chemistry
(2007)
17
Cocrystal architecture and properties: design and building of chiral and racemic structures by solid-solid reactions
T Friscić, W Jones
Faraday Discuss
(2007)
136
Synthesis of gold nanoparticles inside polyelectrolyte brushes
O Azzaroni, AA Brown, N Cheng, A Wei, AM Jonas, WTS Huck
Journal of Materials Chemistry
(2007)
17