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  • Currently displaying 20161 - 20180 of 29903 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
Conformational and dynamics study of the human papillomavirus HPV-16 E2C complexed with its DNA target sequence
T Eliseo, AD Nadra, DU Ferreiro, M Paci, G de Prat-Gay, DO Cicero
FEBS JOURNAL
(2005)
272
Fibril formation and aggregation of a model protein can proceed from different structural conformations of the partially unfolded state
M Calamai, F Chiti, CM Dobson
FEBS JOURNAL
(2005)
272
The symmetry and structure of crystalline surfaces
SJ Pratt, SJ Jenkins, DA King
Surface Science
(2005)
585
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
Crystallization of the FaeE chaperone from Escherichia coli F4 fimbriae
I Van Molle, L Buts, F Coppens, L Wyns, R Loris, J Bouckaert, H De Greve
FEBS JOURNAL
(2005)
272
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
Scanning tunneling microscopy investigation of the structure of methanethiolate on Ag(111)
M Yu, SM Driver, DP Woodruff
Langmuir
(2005)
21
Novel Monte Carlo scheme for systems with short-ranged interactions - art. no. 244106
GC Boulougouris, D Frenkel
J Chem Phys
(2005)
122
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
Cooperative folding in a multi-domain protein
S Batey, LG Randles, A Steward, J Clarke
Journal of Molecular Biology
(2005)
349
(μ2-Bicarbonato-k2O,O′)[μ2-1, 4,8,11,14,18,23,27octaaza-6,16,25(1,3)-tribenzenabicyclo[9.9.9]nonacosaphane] dicopper(II) triperchlorate acetonitrile solvate
S Derossi, AD Bond, CJ McKenzie, J Nelson
Acta Crystallographica Section E Structure Reports Online
(2005)
61
Modeling flexible amphiphilic bilayers: A solvent-free off-lattice Monte Carlo study - art. no. 234711
Z-J Wang, D Frenkel
J Chem Phys
(2005)
122
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
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
(2005)
Electric-field-controlled water and ion permeation of a hydrophobic nanopore
J Dzubiella, J-P Hansen
The Journal of chemical physics
(2005)
122
Density-functional molecular-dynamics study of the redox reactions of two anionic, aqueous transition-metal complexes
Y Tateyama, J Blumberger, M Sprik, I Tavernelli
J Chem Phys
(2005)
122