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- Currently displaying 301 - 320 of 689 publications
Structure and properties of Ne n +; clusters from a diatomics-in-molecules approach
Molecular Physics
(2010)
93
633
(doi: 10.1080/002689798168970)
Energy Landscapes and Structure Prediction Using Basin‐Hopping
(2010)
29
(doi: 10.1002/9783527632831.ch2)
Modelling proteins: conformational sampling and reconstruction of folding kinetics.
Biochim Biophys Acta
(2010)
1814
977
(doi: 10.1016/j.bbapap.2010.09.006)
Virulence-associated substitution D222G in the hemagglutinin of 2009 pandemic influenza A(H1N1) virus affects receptor binding.
J Virol
(2010)
84
11802
(doi: 10.1128/JVI.01136-10)
Transmembrane structures for Alzheimer's Aβ(1-42) oligomers.
J Am Chem Soc
(2010)
132
13300
(doi: 10.1021/ja103725c)
Effect of hydrogen bonding on the dynamical stability of water clusters
ABSTR PAP AM CHEM S
(2010)
240
Energy landscapes of clusters bound by short-ranged potentials
ChemPhysChem
(2010)
11
2491
(doi: 10.1002/cphc.201000233)
The energy landscape, folding pathways and the kinetics of a knotted protein
Plos Computational Biology
(2010)
6
e1000835
(doi: 10.1371/journal.pcbi.1000835)
Modelling the internal structure of nascent soot particles
Combustion and Flame
(2010)
157
909
Hydrogen on graphene under stress: Molecular dissociation and gap opening
Physical Review B Condensed Matter and Materials Physics
(2010)
81
075425
(doi: 10.1103/PhysRevB.81.075425)
Interpolation schemes for peptide rearrangements.
The Journal of Chemical Physics
(2010)
132
054101
(doi: 10.1063/1.3273617)
Energy landscapes: some new horizons.
Curr Opin Struct Biol
(2010)
20
3
(doi: 10.1016/j.sbi.2009.12.011)
Symmetrization of the AMBER and CHARMM Force Fields
Journal of Computational Chemistry
(2010)
31
1402
(doi: 10.1002/jcc.21425)
Emergent Complexity from Simple Anisotropic Building Blocks: Shells, Tubes and Spirals
ACS Nano
(2010)
4
219
(doi: 10.1021/nn9013565)
Interpolation schemes for peptide rearrangements (9 pages).
J. Chem. Phys.
(2010)
132
054101
Energy Landscapes: Some New Horizons
Curr. Op. Struct. Biol.
(2010)
20
3-10
Rational design of helical architectures
Proceedings of the National Academy of Sciences of the United States of America
(2009)
106
20164
(doi: 10.1073/pnas.0906676106)
Global minima of transition metal clusters described by Finnis–Sinclair potentials: A comparison with semi-empirical molecular orbital theory
The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics
(2009)
89
3311
(doi: 10.1080/14786430903270668)
Stepwise melting of a model glass former under confinement
J Chem Phys
(2009)
131
134504
(doi: 10.1063/1.3239468)
Mechanisms for H2 reduction on the PdO{101} surface and the Pd{100}-(√5 × √5)R27°-O surface oxide
The Journal of Physical Chemistry C
(2009)
113
16757
(doi: 10.1021/jp904693t)
