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  • Currently displaying 22161 - 22180 of 31827 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
Ab initio molecular dynamics simulation of redox reactions in solution
J Blumberger, Y Tateyama, M Sprik
Computer Physics Communications
(2005)
169
Mesoscopic lattice modeling of electrokinetic phenomena
I Pagonabarraga, F Capuani, D Frenkel
Computer Physics Communications
(2005)
169
Protein misfolding and human disease: what we have learned from 50 years of protein science
CM Dobson
FEBS JOURNAL
(2005)
272
The symmetry and structure of crystalline surfaces
SJ Pratt, SJ Jenkins, DA King
Surface Science
(2005)
585
Tailbiter: a new amide foldamer
CA Hunter, A Spitaleri, S Tomas
Chemical communications (Cambridge, England)
(2005)
The important role of solvent vapor in an organic solid state reaction.
S Nakamatsu, S Toyota, W Jones, F Toda
Chemical communications (Cambridge, England)
(2005)
Submicron patterning of Co colloid catalyst for growth of vertically aligned carbon nanotubes
VB Golokvo, HW Li, B Kleinsorge, S Hofmann, J Geng, M Cantoro, Z Yang, DA Jefferson, BFG Johnson, WTS Huck, J Robertson
Nanotechnology
(2005)
16
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
The recent turnaround in stratospheric ozone over northern middle latitudes: A dynamical modeling perspective - art. no. L12821
P Hadjinicolaou, JA Pyle, NRP Harris
Geophysical Research Letters
(2005)
32
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
Novel Monte Carlo scheme for systems with short-ranged interactions
GC Boulougouris, D Frenkel
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
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
Multiscale hybrid simulation methods for material systems
G Csanyi, T Albaret, G Moras, MC Payne, A De Vita
Journal of Physics Condensed Matter
(2005)
17
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
Lattice-Boltzmmann simulations of the sedimentation of charged disks
F Capuani, I Pagonabarraga, D Frenkel
(2005)
Cooperative folding in a multi-domain protein
S Batey, LG Randles, A Steward, J Clarke
Journal of Molecular Biology
(2005)
349
Modeling flexible amphiphilic bilayers: A solvent-free off-lattice Monte Carlo study - art. no. 234711
Z-J Wang, D Frenkel
Journal of Chemical Physics
(2005)
122