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  • Currently displaying 20021 - 20040 of 29940 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
(2005)
61
Sum frequency generation from Langmuir-Blodgett multilayer films on metal and dielectric substrates.
J Holman, PB Davies, T Nishida, S Ye, DJ Neivandt
Journal of Physical Chemistry B
(2005)
109
First principles study of d → d excitations in bulk NiO
DS Middlemiss, WCM *
Molecular Physics
(2005)
103
Large-N_f behavior of the Yukawa model: analytic results
S Caracciolo, BM Mognetti, A Pelissetto
PoS LAT
(2005)
2005
Lattice sums and their derivatives for surface adlayers
AJS *
Molecular Physics
(2005)
103
Amyloid fibril formation can proceed from different conformations of a partially unfolded protein
M Calamai, F Chiti, CM Dobson
Biophys J
(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
Biophys J
(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
J Biomol Screen
(2005)
10
The folded, tetrameric phosph(III)azane macrocycle [(P(mu-NtBu))2(1,4-(NH)2C6H4)]4.
F Dodds, F García, RA Kowenicki, M McPartlin, L Riera, A Steiner, DS Wright
Chemical Communications
(2005)
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
Meteorologische Zeitschrift
(2005)
14
(Ethane-1,2-diamine)dinitratopalladium(II)
DJ Bray, JK Clegg, L-L Liao, LF Lindoy, JC McMurtrie, D Schilter, G Wei, T-J Won
Acta Crystallographica Section E: Crystallographic Communications
(2005)
61
Distributed multipole analysis: Stability for large basis sets
AJ Stone
Journal of Chemical Theory and Computation
(2005)
1
Static, transient, and dynamic phase coexistence in metal nanoclusters.
D Schebarchov, SC Hendy
The Journal of Chemical Physics
(2005)
123
Development of a biologically relevant calcium phosphate substrate for sum frequency generation vibrational spectroscopy.
SJ McGall, PB Davies, DJ Neivandt
The journal of physical chemistry. A
(2005)
109
Design and synthesis of aromatic inhibitors of anthranilate synthase
RJ Payne, EMM Bulloch, AD Abell, C Abell
Org Biomol Chem
(2005)
3
Relaxivity of liposomal paramagnetic MRI contrast agents
GJ Strijkers, WJM Mulder, RB van Heeswijk, PM Frederik, P Bomans, PCMM Magusin, K Nicolay
Magma (New York, N.Y.)
(2005)
18
Application of surface science techniques in the study of environmental photocatalysis:: nitrogen-doped TiO2
A Orlov, MS Tikhov, RM Lambert
Comptes Rendus Chimie
(2005)
9
Dynamical variability in the modelling of chemistry-climate interactions
JA Pyle, P Braesicke, G Zeng
Faraday discussions
(2005)
130
Secondary organic aerosols from anthropogenic and biogenic precursors.
U Baltensperger, M Kalberer, J Dommen, D Paulsen, MR Alfarra, H Coe, R Fisseha, A Gascho, M Gysel, S Nyeki, M Sax, M Steinbacher, ASH Prevot, S Sjögren, E Weingartner, R Zenobi
Faraday Discussions
(2005)
130