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  • Currently displaying 21481 - 21500 of 31135 publications
Author(s)
Publication title
Journal Name
Publication year
Self-assembly of a globular protein into native-like and enzymatically active aggregates that subsequently reorganize to form amyloid structures
G Plakoutsi, F Bemporad, N Taddei, CM Dobson, F Chiti
FEBS JOURNAL
(2005)
272
The important role of solvent vapor in an organic solid state reaction
S Nakamatsu, S Toyota, W Jones, F Toda
Chem Commun (Camb)
(2005)
Selective oxidation of benzene to phenol with nitrous oxide over MFI zeolites. 1. On the role of iron and aluminum
EJM Hensen, Q Zhu, RAJ Janssen, PCMM Magusin, PJ Kooyman, RA van Santen
Journal of Catalysis
(2005)
233
Nucleation in suspensions of anisotropic colloids
T Schilling, D Frenkel
Computer Physics Communications
(2005)
169
Mesoscopic lattice modeling of electrokinetic phenomena
I Pagonabarraga, F Capuani, D Frenkel
Computer Physics Communications
(2005)
169
Ab initio molecular dynamics simulation of redox reactions in solution
J Blumberger, Y Tateyama, M Sprik
Computer Physics Communications
(2005)
169
Toward a Monte Carlo program for simulating vapor–liquid phase equilibria from first principles
MJ McGrath, JI Siepmann, I-FW Kuo, CJ Mundy, J VandeVondele, M Sprik, J Hutter, F Mohamed, M Krack, M Parrinello
Computer Physics Communications
(2005)
169
The recent turnaround in stratospheric ozone over northern middle latitudes: A dynamical modeling perspective
P Hadjinicolaou, JA Pyle, NRP Harris
Geophysical Research Letters
(2005)
32
Second-sphere coordination in anion binding: sodium hexa­ammine­cobalt(III) tetra­kis­(4-fluoro­benzoate) monohydrate
RP Sharma, R Bala, R Sharma, AD Bond
Acta Crystallographica Section C Crystal Structure Communications
(2005)
61
Novel Monte Carlo scheme for systems with short-ranged interactions - art. no. 244106
GC Boulougouris, D Frenkel
The Journal of chemical physics
(2005)
122
Scanning tunneling microscopy investigation of the structure of methanethiolate on Ag(111)
M Yu, SM Driver, DP Woodruff
Langmuir
(2005)
21
Diastereoselective amplification of an induced-fit receptor from a dynamic combinatorial library.
PT Corbett, LH Tong, JKM Sanders, S Otto
J Am Chem Soc
(2005)
127
The crystal structure of Escherichia coli ketopantoate reductase with NADP+ bound
CMC Lobley, A Ciulli, HM Whitney, G Williams, AG Smith, C Abell, TL Blundell
Biochemistry
(2005)
44
μ2-bicarbonato-κ2 O,O′)[μ2-1,4,8,11,14,18,23,27-octaaza-6,16,25(1,3)- tribenzenabicyclo[9.9.9]nona-cosaphane]dicopper(II) triperchlorate acetonitrile solvate
S Derossi, AD Bond, CJ McKenzie, J Nelson
Acta Crystallographica Section E Structure Reports Online
(2005)
61
Cooperative Folding in a Multi-domain Protein
S Batey, LG Randles, A Steward, J Clarke
Journal of molecular biology
(2005)
349
Lattice-Boltzmmann simulations of the sedimentation of charged disks
F Capuani, I Pagonabarraga, D Frenkel
(2005)
State-Resolved Gas-Surface Reactivity of Methane in the Symmetric C-H Stretch Vibration on Ni(100)
P Maroni, DC Papageorgopoulos, M Sacchi, TT Dang, RD Beck, TR Rizzo
Physical Review Letters
(2005)
94
Modeling flexible amphiphilic bilayers: A solvent-free off-lattice Monte Carlo study
Z-J Wang, D Frenkel
J Chem Phys
(2005)
122
Electric-field-controlled water and ion permeation of a hydrophobic nanopore.
J Dzubiella, J-P Hansen
The Journal of Chemical Physics
(2005)
122
The use of a continuous flow-reactor employing a mixed hydrogen-liquid flow stream for the efficient reduction of imines to amines.
S Saaby, KR Knudsen, M Ladlow, SV Ley
Chemical communications (Cambridge, England)
(2005)