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  • Currently displaying 24121 - 24140 of 31130 publications
Author(s)
Publication title
Journal Name
Publication year
Energetics of enzyme stability
M Vendruscolo
Trends in Biotechnology
(2002)
20
What can classical simulators learn from ab initio simulations?
L Delle Site, RM Lyndeb-Bell, A Alavi
Journal of Molecular Liquids
(2002)
98-9
What can atomic force microscopy tell us about protein folding?
RB Best, J Clarke
Chemical communications (Cambridge, England)
(2002)
Nuclear magnetic resonance studies of lithium-ion battery materials
CP Grey, SG Greenbaum
MRS Bulletin
(2002)
27
The infrared and ultraviolet spectra of single conformations of methyl-capped dipeptides: N-acetyl tryptophan amide and N-acetyl tryptophan methyl amide
BC Dian, A Longarte, S Mercier, DA Evans, DJ Wales, TS Zwier
J. Chem. Phys.
(2002)
117
Global optimization and the energy landscapes of Dzugutov clusters
JP Doye, DJ Wales, SI Simdyankin
Faraday Discussions
(2002)
118
Chapter 2 Statistical Mechanics
D Frenkel, B Smit
(2002)
Molecular Dynamics Simulations
D Frenkel, B Smit
(2002)
Chapter 5 Monte Carlo Simulations in Various Ensembles
D Frenkel, B Smit
(2002)
Synthesis and characterisation of super-microporous aluminosilicates prepared via primary amine templating
E Bastardo-Gonzalez, R Mokaya, W Jones
Studies in Surface Science and Catalysis
(2002)
141
Chapter 6 Molecular Dynamics in Various Ensembles
D Frenkel, B Smit
(2002)
Towards the chemical Semantic Web
P Murray-Rust, HS Rzepa
PROCEEDINGS OF THE 2002 INTERNATIONAL CHEMICAL INFORMATION CONFERENCE
(2002)
H2−D2 exchange and migration of Ga in H-ZSM5 and H-MOR zeolites
M Garcia-Sanchez, P Magusin, EJM Hensen, RA van Santen
(2002)
142
A solid state and theoretical study of the solvent effects controlling the mono- and di-lithiation of aromatic primary amines
DR Armstrong, SC Ball, D Barr, W Clegg, DJ Linton, LC Kerr, D Moncrieff, PR Raithby, RJ Singer, R Snaith, D Stalke, AEH Wheatley, DS Wright
Journal of the Chemical Society Dalton Transactions
(2002)
Propene epoxidation over K-promoted Ag/CaCO3 catalysts: The effect of metal particle size
FW Zemichael, A Palermo, MS Tikhov, RM Lambert
Catalysis Letters
(2002)
80
Photo-control of peptide and protein conformation: Development of force field parameters for modified azobenzene conformational switches
DG Flint, J Kumita, A Woolley, OS Smart
BIOPHYSICAL JOURNAL
(2002)
82
Conformational analysis of a photo-controlled peptide
DC Burns, DG Flint, J Kumita, J Zhang, OS Smart, A Woolley
BIOPHYSICAL JOURNAL
(2002)
82
Photo-control of peptides and coiled-coils by a modified azobenzene conformational switch
J Kumita, A Woolley, DG Flint, OS Smart
BIOPHYSICAL JOURNAL
(2002)
82
Velocity auto-correlation functions in three-dimensional vibro-fluidized granular beds
RD Wildman, J-P Hansen, DJ Parker
Physics of Fluids
(2002)
14
Structural and thermodynamic properties of spin-polarized fluid hydrogen
H Xu, J-P Hansen
Physics of Plasmas
(2002)
9