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  • Currently displaying 18081 - 18100 of 29253 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
Prediction of small molecule targets based on protein domains: Extrapolation into unknown target space
JL Jenkins, A Bender, D Mikhailov
ABSTR PAP AM CHEM S
(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
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
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(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
PHYS 31-Redox free energies and one-electron energy levels from density functional theory based molecular dynamics
M Sprik, R Ayala, J VandeVondele
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
PHYS 99-Water addition along with reduction of aqueous ruthenium complexes by ab initio free energy calculation method for bond breaking/formation coupled to electron transfer
Y Tateyama, J Blumberger, T Ohno, M Sprik
ABSTR PAP AM CHEM S
(2007)
234
Crosslinking polymer brushes for the fabrication of quasi-2-D "micro-objects"
JE Comrie, WTS Huck
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
INOR 472-Synthesis and characterization of a planar tetranuclear iron(II) complex and its conversion into linear triiron and paddlewheel diiron complexes
E Reisner, SJ Lippard
ABSTR PAP AM CHEM S
(2007)
234
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 358-Binucleating hexaanionic cryptand ligands to engender O-O bond formation
GE Alliger, R Fu, B Breiner, DG Nocera, CC Cummins
ABSTR PAP AM CHEM S
(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
ORGN 261-Studies toward the total synthesis of the brasilinolides
I Paterson, PM Burton, F Muehlthau
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
ORGN 254-Studies toward the synthesis of neolaulimalide and laulimalide
I Paterson, JK Hutchinson, A Longstaff
ABSTR PAP AM CHEM S
(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
ORGN 20-Phase transfer dynamic combinatorial chemistry
R Perez-Fernandez, JKM Sanders
ABSTR PAP AM CHEM S
(2007)
234
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
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
ORGN 260-Studies toward the total synthesis of reidispongiolide A
I Paterson, G Cecere, GJ Florence, G Chouraqui, J Stafford, K Ashton, R Britton
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234