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  • Currently displaying 18581 - 18600 of 29870 publications
Author(s)
Publication title
Journal Name
Publication year
Optical absorption of a green fluorescent protein variant: environment effects in a density functional study.
C Camilloni, D Provasi, G Tiana, RA Broglia
The Journal of Physical Chemistry B
(2007)
111
A sequential enantioselective, organocatalytic route to chiral 1,2-oxazines and chiral pyridazines.
S Kumarn, AJ Oelke, DM Shaw, DA Longbottom, SV Ley
Organic and Biomolecular Chemistry
(2007)
5
Multimodel projections of stratospheric ozone in the 21st century
V Eyring, DW Waugh, GE Bodeker, E Cordero, H Akiyoshi, J Austin, SR Beagley, BA Boville, P Braesicke, C Brühl, N Butchart, MP Chipperfield, M Dameris, R Deckert, M Deushi, SM Frith, RR Garcia, A Gettelman, MA Giorgetta, DE Kinnison, E Mancini, E Manzini, DR Marsh, S Matthes, T Nagashima, PA Newman, JE Nielsen, S Pawson, G Pitari, DA Plummer, E Rozanov, M Schraner, JF Scinocca, K Semeniuk, TG Shepherd, K Shibata, B Steil, RS Stolarski, W Tian, M Yoshiki
Journal of Geophysical Research Atmospheres
(2007)
112
Short, facile, and high-yielding synthesis of extremely efficient pincer-type suzuki catalysts bearing aminoiphosphine substituents
JL Bolliger, O Blacque, CM Frech
Angew Chem Int Ed Engl
(2007)
46
Natural Products as an Inspiration for the Discovery of New High-Throughput Chemical Synthesis Tools, in Drug Discovery and Development: Drug Development
SV Ley, IR Baxendale, DA Longbottom, RM Myers
(2007)
2
Exploring energy landscapes with explicit and implicit water
DJ Wales
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
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
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
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
ORGN 20-Phase transfer dynamic combinatorial chemistry
R Perez-Fernandez, JKM Sanders
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
ABSTR PAP AM CHEM S
(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
PHYS 342-Heterogeneous asymmetric hydrogenation of C=C bonds
DJ Watson, RBR John-Jesudason, AI McIntosh, DC Madden, JW Burton, RM Lambert
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
ABSTR PAP AM CHEM S
(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
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
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
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