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- Currently displaying 21601 - 21620 of 30849 publications
Pathways for dissociative ethane chemisorption on Pt110 (1x2) using density functional theory
Chem. Phys. Lett.
(2005)
413
289-293
Multi-Scale Simulations Provide Supporting Evidence for the Hypothesis of Intramolecular Protein Translocation in GroEL/GroES Complexes
PLoS Computational Biology
(2005)
preprint
e6
An ab initio study of tunneling splittings in the water trimer (7 pages)
J. Chem. Phys.
(2005)
123
044302
Novel Structural Motifs in Clusters of Dipolar Spheres: Knots, Links, and Coils
J. Phys. Chem. B
(2005)
109
23109-23112
Self-assembled monolayers (SAMS) and synthesis of planar micro- and nanostructures
Journal of Macromolecular Science Polymer Reviews
(2004)
C44
175
(doi: 10.1081/MC-120034153)
Reversal of protein aggregation provides evidence for multiple aggregated States.
Journal of Molecular Biology
(2004)
346
603
(doi: 10.1016/j.jmb.2004.11.067)
Computational Investigation of Order, Structure, and Dynamics in Modified Water Models
J Phys Chem B
(2004)
109
6527
(doi: 10.1021/jp0458553)
Growth of single-walled carbon nanotubes by the rapid heating of a supported catalyst
Chemistry of Materials
(2004)
16
5637
(doi: 10.1021/cm0495111)
Preliminary characterization of two different crystal forms of acylphosphatase from the hyperthermophile archaeonSulfolobus solfataricus
Acta crystallographica. Section F, Structural biology and crystallization communications
(2004)
61
144
(doi: 10.1107/s1744309104032336)
Lowest-energy structures of (C60)nX (X=Li+,Na+,K+,Cl−) and (C60)nYCl (Y=Li,Na,K) clusters for n⩽13
The Journal of Chemical Physics
(2004)
121
12315
(doi: 10.1063/1.1819894)
Exploring the temperature-pressure configurational landscape of biomolecules: From lipid membranes to proteins
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences
(2004)
363
537
(doi: 10.1098/rsta.2004.1507)
Towards complete descriptions of the free–energy landscapes of proteins
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences
(2004)
363
433
(doi: 10.1098/rsta.2004.1501)
Quantifying the complexity of chaos in multibasin multidimensional dynamics of molecular systems
Complexity
(2004)
10
40
(doi: 10.1002/cptx.20055)
Effects of Heme on the Structure of the Denatured State and Folding Kinetics of Cytochrome b562
Journal of Molecular Biology
(2004)
346
331
(doi: 10.1016/j.jmb.2004.11.044)
Mapping long-range interactions in alpha-synuclein using spin-label NMR and ensemble molecular dynamics simulations.
J Am Chem Soc
(2004)
127
476
(doi: 10.1021/ja044834j)
Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.
Journal of medicinal chemistry
(2004)
48
414
(doi: 10.1021/jm049575n)
Biophysical investigations of engineered polyproteins: implications for force data.
Biophysical journal
(2004)
88
2022
(doi: 10.1529/biophysj.104.053744)
Fragment-based lead discovery using X-ray crystallography.
Journal of Medicinal Chemistry
(2004)
48
403
(doi: 10.1021/jm0495778)
Yttrium aluminum garnet (YAG) films through a precursor plasma spraying technique
Journal of the American Ceramic Society
(2004)
84
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