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  • Currently displaying 20781 - 20800 of 30617 publications
Author(s)
Publication title
Journal Name
Publication year
Design and construction of a 2D metal organic framework with multiple cavities: A nonregular net with a paracyclophane that codes for multiply fused nodes
GS Papaefstathiou, T Friscić, LR MacGillivray
Journal of the American Chemical Society
(2005)
127
MACiE: a database of enzyme reaction mechanisms.
GL Holliday, GJ Bartlett, DE Almonacid, NM O'Boyle, P Murray-Rust, JM Thornton, JBO Mitchell
Bioinformatics
(2005)
21
Pathways for dissociative ethane chemisorption on Pt{1 1 0} (1 × 2) using density functional theory
AT Anghel, DJ Wales, SJ Jenkins, DA King
Chemical Physics Letters
(2005)
413
Prediction of atomic structure from sequence for double helical DNA oligomers.
J Farwer, MJ Packer, CA Hunter
Biopolymers
(2005)
81
Organic crystals absorb hydrogen gas under mild conditions
PK Thallapally, GO Lloyd, TB Wirsig, MW Bredenkamp, JL Atwood, LJ Barbour
Chemical communications (Cambridge, England)
(2005)
Why isn't 'standard' heme good enough for c-type and d1-type cytochromes?
JWA Allen, PD Barker, O Daltrop, JM Stevens, EJ Tomlinson, N Sinha, Y Sambongi, SJ Ferguson
Dalton transactions (Cambridge, England : 2003)
(2005)
1,4,7,10-Tetra­kis(carbamoylmeth­yl)-1,4,7,10-tetra­azacyclo­dodecane
GO Lloyd, RC Luckay
Acta Crystallographica Section E Structure Reports Online
(2005)
61
A third blind test of crystal structure prediction.
GM Day, WDS Motherwell, HL Ammon, SXM Boerrigter, RG Della Valle, E Venuti, A Dzyabchenko, JD Dunitz, B Schweizer, BP van Eijck, P Erk, JC Facelli, VE Bazterra, MB Ferraro, DWM Hofmann, FJJ Leusen, C Liang, CC Pantelides, PG Karamertzanis, SL Price, TC Lewis, H Nowell, A Torrisi, HA Scheraga, YA Arnautova, MU Schmidt, P Verwer
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
(2005)
61
A broadband cavity ringdown spectrometer for in-situ measurements of atmospheric trace gases
M Bitter, SM Ball, IM Povey, RL Jones
Atmospheric Chemistry and Physics
(2005)
5
PNA forms an i-motif.
Y Krishnan-Ghosh, E Stephens, S Balasubramanian
Chemical Communications
(2005)
Transition State Contact Orders Correlate with Protein Folding Rates
E Paci, K Lindorff-Larsen, CM Dobson, M Karplus, M Vendruscolo
Journal of Molecular Biology
(2005)
352
Sum Frequency Generation from Langmuir−Blodgett Multilayer Films on Metal and Dielectric Substrates
J Holman, PB Davies, T Nishida, S Ye, DJ Neivandt
J Phys Chem B
(2005)
109
First principles study of d→d excitations in bulk NiO
DS Middlemiss, WCM *
Molecular Physics
(2005)
103
Lattice sums and their derivatives for surface adlayers
AJS *
Molecular Physics
(2005)
103
Large-N_f behavior of the Yukawa model: analytic results
S Caracciolo, BM Mognetti, A Pelissetto
PoS LAT
(2005)
2005
Amyloid fibril formation can proceed from different conformations of a partially unfolded protein
M Calamai, F Chiti, CM Dobson
Biophysical Journal
(2005)
89
Amyloid Formation of a Protein in the Absence of Initial Unfolding and Destabilization of the Native State
G Soldi, F Bemporad, S Torrassa, A Relini, M Ramazzotti, N Taddei, F Chiti
Biophysical Journal
(2005)
89
Screening for dihydrofolate reductase inhibitors using MOLPRINT 2D, a fast fragment-based method employing the naïve Bayesian classifier: Limitations of the descriptor and the importance of balanced chemistry in training and test sets
A Bender, HY Mussa, RC Glen
SLAS Discovery
(2005)
10
Aviation radiative forcing in 2000: An update on IPCC (1999)
R Sausen, I Isaksen, V Grewe, D Hauglustaine, DS Lee, G Myhre, MO Köhler, G Pitari, U Schumann, F Stordal, C Zerefos
Meteorol. Z.
(2005)
14
The folded, tetrameric phosph( iii )azane macrocycle [{P( μ -N t Bu)} 2 {1,4-(NH) 2 C 6 H 4 }] 4
F Dodds, F García, RA Kowenicki, M McPartlin, L Riera, A Steiner, DS Wright
Chemical communications (Cambridge, England)
(2005)