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  • Currently displaying 20161 - 20180 of 29910 publications
Author(s)
Publication title
Journal Name
Publication year
Frontiers in computational biophysics: A symposium in honor of Martin Karplus
CB Post, CM Dobson
Structure
(2005)
13
Mesoscopic lattice modeling of electrokinetic phenomena
I Pagonabarraga, F Capuani, D Frenkel
Computer Physics Communications
(2005)
169
Nucleation in suspensions of anisotropic colloids
T Schilling, D Frenkel
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
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
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
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
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
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 Crystallogr C
(2005)
61
Scanning tunneling microscopy investigation of the structure of methanethiolate on Ag(111).
M Yu, SM Driver, DP Woodruff
Langmuir : the ACS journal of surfaces and colloids
(2005)
21
Novel Monte Carlo scheme for systems with short-ranged interactions.
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.
Z-J Wang, D Frenkel
The Journal of chemical physics
(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