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- Currently displaying 20041 - 20060 of 29865 publications
MACiE: a database of enzyme reaction mechanisms
Bioinformatics
(2005)
21
4315
Influence of vibrational energy flow on isomerization of flexible molecules: incorporating non-Rice-Ramsperger-Kassel-Marcus kinetics in the simulation of dipeptide isomerization.
The Journal of Chemical Physics
(2005)
123
124304
(doi: 10.1063/1.2011399)
Design and Construction of a 2D Metal Organic Framework with Multiple Cavities: A Nonregular Net with a Paracyclophane that Codes for Multiply Fused Nodes
J Am Chem Soc
(2005)
127
14160
(doi: 10.1021/ja054841n)
A versatile organocatalyst for the asymmetric conjugate addition of nitroalkanes to enones.
Chem Commun (Camb)
(2005)
5346
(doi: 10.1039/b511441a)
Why isn't ‘standard’ heme good enough for c -type and d 1 -type cytochromes?
Dalton transactions (Cambridge, England : 2003)
(2005)
3410
(doi: 10.1039/b508139b)
Organic crystals absorb hydrogen gas under mild conditions
Chem Commun (Camb)
(2005)
5272
(doi: 10.1039/b511341e)
Prediction of atomic structure from sequence for double helical DNA oligomers.
Biopolymers
(2005)
81
51
(doi: 10.1002/bip.20377)
Pathways for dissociative ethane chemisorption on Pt{110} (1×2) using density functional theory
Chemical Physics Letters
(2005)
413
289
(doi: 10.1016/j.cplett.2005.07.074)
1,4,7,10-Tetrakis(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane
Acta Crystallographica Section E Structure Reports Online
(2005)
61
O3405
(doi: 10.1107/S1600536805030023)
A third blind test of crystal structure prediction.
Acta Crystallogr B
(2005)
61
511
(doi: 10.1107/s0108768105016563)
A broadband cavity ringdown spectrometer for in-situ measurements of atmospheric trace gases
Atmospheric Chemistry and Physics
(2005)
5
2547
(doi: 10.5194/acp-5-2547-2005)
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.
J Phys Chem B
(2005)
109
18723
(doi: 10.1021/jp051564y)
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)
First principles study of d→d excitations in bulk NiO
Molecular Physics
(2005)
103
2513
(doi: 10.1080/00268970500179537)
Simulating rare events in equilibrium or non-equilibrium stochastic systems
(2005)
Screening for dihydrofolate reductase inhibitors using MOLPRINT 2D, a fast fragment-based method employing the naive 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 fibril formation can proceed from different conformations of a partially unfolded protein
Biophys J
(2005)
89
4201
(doi: 10.1529/biophysj.105.068726)
