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- Currently displaying 20021 - 20040 of 29940 publications
Transition state contact orders correlate with protein folding rates.
Journal of Molecular Biology
(2005)
352
495
(doi: 10.1016/j.jmb.2005.06.081)
A third blind test of crystal structure prediction
Acta Crystallographica Section B Structural Science
(2005)
61
511
(doi: 10.1107/S0108768105016563)
Sum frequency generation from Langmuir-Blodgett multilayer films on metal and dielectric substrates.
Journal of Physical Chemistry B
(2005)
109
18723
(doi: 10.1021/jp051564y)
First principles study of d → d excitations in bulk NiO
Molecular Physics
(2005)
103
2513
(doi: 10.1080/00268970500179537)
Large-N_f behavior of the Yukawa model: analytic results
PoS LAT
(2005)
2005
187
Lattice sums and their derivatives for surface adlayers
Molecular Physics
(2005)
103
2477
(doi: 10.1080/00268970500178885)
Amyloid fibril formation can proceed from different conformations of a partially unfolded protein
Biophys J
(2005)
89
4201
(doi: 10.1529/biophysj.105.068726)
Amyloid Formation of a Protein in the Absence of Initial Unfolding and Destabilization of the Native State
Biophys J
(2005)
89
4234
(doi: 10.1529/biophysj.105.067538)
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
J Biomol Screen
(2005)
10
658
(doi: 10.1177/1087057105281048)
The folded, tetrameric phosph(III)azane macrocycle [(P(mu-NtBu))2(1,4-(NH)2C6H4)]4.
Chemical Communications
(2005)
5041
(doi: 10.1039/b510636b)
Aviation radiative forcing in 2000: An update on IPCC (1999)
Meteorologische Zeitschrift
(2005)
14
555
(doi: 10.1127/0941-2948/2005/0049)
(Ethane-1,2-diamine)dinitratopalladium(II)
Acta Crystallographica Section E: Crystallographic Communications
(2005)
61
M1940
(doi: 10.1107/S1600536805027224)
Distributed multipole analysis: Stability for large basis sets
Journal of Chemical Theory and Computation
(2005)
1
1128
(doi: 10.1021/ct050190+)
Static, transient, and dynamic phase coexistence in metal nanoclusters.
The Journal of Chemical Physics
(2005)
123
104701
(doi: 10.1063/1.2000248)
Development of a biologically relevant calcium phosphate substrate for sum frequency generation vibrational spectroscopy.
The journal of physical chemistry. A
(2005)
109
8745
(doi: 10.1021/jp0525742)
Design and synthesis of aromatic inhibitors of anthranilate synthase
Org Biomol Chem
(2005)
3
3629
(doi: 10.1039/b510633h)
Relaxivity of liposomal paramagnetic MRI contrast agents
Magma (New York, N.Y.)
(2005)
18
186
(doi: 10.1007/s10334-005-0111-y)
Application of surface science techniques in the study of environmental photocatalysis:: nitrogen-doped TiO2
Comptes Rendus Chimie
(2005)
9
794
(doi: 10.1016/j.crci.2005.03.020)
Dynamical variability in the modelling of chemistry-climate interactions
Faraday discussions
(2005)
130
27
(doi: 10.1039/b417947c)
Secondary organic aerosols from anthropogenic and biogenic precursors.
Faraday Discussions
(2005)
130
265
(doi: 10.1039/b417367h)