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- Currently displaying 19901 - 19920 of 29634 publications
A third blind test of crystal structure prediction.
Acta Crystallographica Section B Structural Science
(2005)
61
511
(doi: 10.1107/S0108768105016563)
Transition state contact orders correlate with protein folding rates.
Journal of Molecular Biology
(2005)
352
495
(doi: 10.1016/j.jmb.2005.06.081)
Sum Frequency Generation from Langmuir−Blodgett Multilayer Films on Metal and Dielectric Substrates
The Journal of Physical Chemistry B
(2005)
109
18723
(doi: 10.1021/jp051564y)
Lattice sums and their derivatives for surface adlayers
Molecular Physics
(2005)
103
2477
(doi: 10.1080/00268970500178885)
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
Amyloid Fibril Formation Can Proceed from Different Conformations of a Partially Unfolded Protein
Biophys J
(2005)
89
4201
(doi: 10.1529/biophysj.105.068726)
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.
Journal of Biomolecular Screening
(2005)
10
658
(doi: 10.1177/1087057105281048)
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)
Aviation radiative forcing in 2000: An update on IPCC (1999)
Meteorologische Zeitschrift
(2005)
14
555
(doi: 10.1127/0941-2948/2005/0049)
The folded, tetrameric phosph( iii )azane macrocycle [{P( μ -N t Bu)} 2 {1,4-(NH) 2 C 6 H 4 }] 4
Chemical communications (Cambridge, England)
(2005)
5041
(doi: 10.1039/b510636b)
(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
Journal of Physical Chemistry A
(2005)
109
8745
(doi: 10.1021/jp0525742)
Design and synthesis of aromatic inhibitors of anthranilate synthase
Organic and Biomolecular Chemistry
(2005)
3
3629
(doi: 10.1039/b510633h)
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)
Relaxivity of liposomal paramagnetic MRI contrast agents.
Magnetic Resonance Materials in Physics, Biology and Medicine
(2005)
18
186
(doi: 10.1007/s10334-005-0111-y)
Effective interactions between chaotropic agents and proteins.
Proteins Structure Function and Bioinformatics
(2005)
61
492
(doi: 10.1002/prot.20626)