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- Currently displaying 20741 - 20760 of 30391 publications
Fibril formation and aggregation of a model protein can proceed from different structural conformations of the partially unfolded state
FEBS JOURNAL
(2005)
272
366
Nucleation in suspensions of anisotropic colloids
Computer Physics Communications
(2005)
169
117
(doi: 10.1016/j.cpc.2005.03.028)
Frontiers in Computational Biophysics: A Symposium in Honor of Martin Karplus
Structure
(2005)
13
949
(doi: 10.1016/j.str.2005.06.003)
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)
Ab initio molecular dynamics simulation of redox reactions in solution
Computer Physics Communications
(2005)
169
256
(doi: 10.1016/j.cpc.2005.03.059)
Mesoscopic lattice modeling of electrokinetic phenomena
Computer Physics Communications
(2005)
169
192
(doi: 10.1016/j.cpc.2005.03.043)
The symmetry and structure of crystalline surfaces
Surface Science
(2005)
585
l159
(doi: 10.1016/j.susc.2005.04.006)
Selective oxidation of benzene to phenol with nitrous oxide over MFI zeolites1. 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 - art. no. L12821
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
(2005)
21
7285
(doi: 10.1021/la0503810)
Novel Monte Carlo scheme for systems with short-ranged interactions
The Journal of Chemical Physics
(2005)
122
244106
(doi: 10.1063/1.1931652)
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)
The crystal structure of Escherichia coli ketopantoate reductase with NADP+ bound
Biochemistry
(2005)
44
8930
(doi: 10.1021/bi0502036)
Cooperative Folding in a Multi-domain Protein
Journal of molecular biology
(2005)
349
1045
(doi: 10.1016/j.jmb.2005.04.028)
Lattice-Boltzmmann simulations of the sedimentation of charged disks
(2005)
(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: Crystallographic Communications
(2005)
61
M1379
(doi: 10.1107/s1600536805018581)
State-resolved gas-surface reactivity of methane in the symmetric C-H stretch vibration on Ni(100)
Physical Review Letters
(2005)
94
246104
Modeling flexible amphiphilic bilayers: A solvent-free off-lattice Monte Carlo study - art. no. 234711
J Chem Phys
(2005)
122
234711
(doi: 10.1063/1.1927509)
The use of a continuous flow-reactor employing a mixed hydrogen-liquid flow stream for the efficient reduction of imines to amines
Chemical communications (Cambridge, England)
(2005)
2909
(doi: 10.1039/b504854k)
