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- Currently displaying 21901 - 21920 of 31597 publications
Ab initio molecular dynamics simulation of redox reactions in solution
Computer Physics Communications
(2005)
169
256
(doi: 10.1016/j.cpc.2005.03.059)
Self-assembly of a globular protein into native-like and enzymatically active aggregates that subsequently reorganize to form amyloid structures
FEBS JOURNAL
(2005)
272
493
Submicron patterning of Co colloid catalyst for growth of vertically aligned carbon nanotubes
Nanotechnology
(2005)
16
1636
(doi: 10.1088/0957-4484/16/9/039)
The important role of solvent vapor in an organic solid state reaction
Chemical communications (Cambridge, England)
(2005)
3808
(doi: 10.1039/b503922c)
The symmetry and structure of crystalline surfaces
Surface Science
(2005)
585
l159
(doi: 10.1016/j.susc.2005.04.006)
Toward a Monte Carlo program for simulating vapor-liquid phase equilibria from first principles
Computer Physics Communications
(2005)
169
289
(doi: 10.1016/j.cpc.2005.03.065)
Protein misfolding and human disease: what we have learned from 50 years of protein science
FEBS JOURNAL
(2005)
272
1
Selective oxidation of benzene to phenol with nitrous oxide over MFI zeolites. 1. On the role of iron and aluminum
Journal of Catalysis
(2005)
233
123
(doi: 10.1016/j.jcat.2005.04.009)
The recent turnaround in stratospheric ozone over northern middle latitudes: A dynamical modeling perspective
Geophysical Research Letters
(2005)
32
1
(doi: 10.1029/2005gl022476)
Second-sphere coordination in anion binding: sodium hexaamminecobalt(III) tetrakis(4-fluorobenzoate) monohydrate
Acta Crystallographica Section C Crystal Structure Communications
(2005)
61
m356
(doi: 10.1107/s0108270105018500)
Scanning tunneling microscopy investigation of the structure of methanethiolate on Ag(111)
Langmuir : the ACS journal of surfaces and colloids
(2005)
21
7285
(doi: 10.1021/la0503810)
Diastereoselective amplification of an induced-fit receptor from a dynamic combinatorial library.
Journal of the American Chemical Society
(2005)
127
8902
(doi: 10.1021/ja050790i)
Novel Monte Carlo scheme for systems with short-ranged interactions
The Journal of Chemical Physics
(2005)
122
244106
(doi: 10.1063/1.1931652)
The crystal structure of Escherichia coli ketopantoate reductase with NADP+ bound
Biochemistry
(2005)
44
8930
(doi: 10.1021/bi0502036)
Lattice-Boltzmmann simulations of the sedimentation of charged disks
(2005)
Cooperative Folding in a Multi-domain Protein
Journal of Molecular Biology
(2005)
349
1045
(doi: 10.1016/j.jmb.2005.04.028)
Multiscale hybrid simulation methods for material systems
Journal of Physics Condensed Matter
(2005)
17
r691
(doi: 10.1088/0953-8984/17/27/R02)
(μ2-Bicarbonato-κ2O,O′)[μ2-1,4,8,11,14,18,23,27-octaaza-6,16,25(1,3)-tribenzenabicyclo[9.9.9]nonacosaphane]dicopper(II) triperchlorate acetonitrile solvate
Acta Crystallographica Section E Structure Reports Online
(2005)
61
M1379
(doi: 10.1107/s1600536805018581)
Modeling flexible amphiphilic bilayers: a solvent-free off-lattice Monte Carlo study.
J Chem Phys
(2005)
122
234711
(doi: 10.1063/1.1927509)
State-Resolved Gas-Surface Reactivity of Methane in the Symmetric C-H Stretch Vibration on Ni(100)
Physical Review Letters
(2005)
94
246104
