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  • Currently displaying 18481 - 18500 of 29657 publications
Author(s)
Publication title
Journal Name
Publication year
ORGN 41-Quinoline oligoamide macrocycle: Selective G quadruplex binding ligand
PS Shirude, E Gillies, S Ladame, F Godde, I Huc, B Okumus, C Joo, S Balasubramanian
ABSTR PAP AM CHEM S
(2007)
234
PHYS 97-Density functional based molecular dynamics simulation of the aqueous hydroxyl and thiyl radical
M Sprik, C Adriaanse, M Sulpizi, J VandeVondele
ABSTR PAP AM CHEM S
(2007)
234
INOR 358-Binucleating hexaanionic cryptand ligands to engender O-O bond formation
GE Alliger, R Fu, B Breiner, DG Nocera, CC Cummins
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
ORGN 121-Toward the total synthesis of azadirachtin
A Boyer, E Beckmann, GE Veitch, BJ Burke, SV Ley
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
ENVR 154-Photoenhanced HONO production on atmospherically relevant mineral surfaces
RJ Gustafsson, A Orlov, PT Griffiths, RA Cox, RM Lambert
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
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(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
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(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
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(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
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
Exploring energy landscapes with explicit and implicit water
DJ Wales
ABSTR PAP AM CHEM S
(2007)
234
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
The derivation of hydrogen‐containing radical concentrations from satellite data sets
JA Pyle, AM Zavody
Quarterly Journal of the Royal Meteorological Society
(2007)
111
Parallelizable split-operator propagator for treating Coriolis-coupled quantum dynamics
MT Cvitas, SC Althorpe
Computer Physics Communications
(2007)
177
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
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
Simulating ice nucleation, one molecule at a time, with the 'DFT microseope'
A Michaelides
Faraday discussions
(2007)
136