Tips on using this search form
- All search terms are case-insensitive
- If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
- To reset the search form, click here
- Currently displaying 321 - 340 of 694 publications
Interpolation schemes for peptide rearrangements.
The Journal of chemical physics
(2010)
132
054101
(doi: 10.1063/1.3273617)
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)
Energy Landscapes: Some New Horizons
Curr. Op. Struct. Biol.
(2010)
20
3-10
Interpolation schemes for peptide rearrangements (9 pages).
J. Chem. Phys.
(2010)
132
054101
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)
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)
Stepwise melting of a model glass former under confinement.
The Journal of Chemical Physics
(2009)
131
134504
(doi: 10.1063/1.3239468)
Rydberg excitations in rare gas clusters: Structure and electronic spectra of Ar*n (3 ≤ n ≤ 25)
Molecular Physics
(2009)
96
1295
(doi: 10.1080/00268979909483074)
Molecule-doped rare gas clusters: Structure and stability of ArnNO(X2Π1/2/3/2), n ≤ 25, from new ab initio potential energy surfaces of ArNO
Molecular Physics
(2009)
98
219
(doi: 10.1080/002689700162649)
Molecule-doped rare gas clusters: structure and stability of ArnNO(X (2)Pi(1/2,3/2)), n <= 25, from new ab initio potential energy surfaces of ArNO
Mol. Phys.
(2009)
98
219
(doi: 10.1080/00268970009483285)
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)
The kinetics and structure of protein energy landscape
ABSTR PAP AM CHEM S
(2009)
238
Theory of NHx ± H Reactions on Fe{211}
Journal of Physical Chemistry C
(2009)
113
15274
(doi: 10.1021/jp9034248)
Defect motifs for spherical topologies
Physical Review B Condensed Matter and Materials Physics
(2009)
79
224115
(doi: 10.1103/PhysRevB.79.224115)
Calculating rate constants and committor probabilities for transition networks by graph transformation.
The Journal of chemical physics
(2009)
130
204111
(doi: 10.1063/1.3133782)
Connectivity in the potential energy landscape for binary Lennard-Jones systems (12 pages).
J. Chem. Phys.
(2009)
130
194508
(doi: 10.1063/1.3131690)
Computer simulations of peptides from the p53 DNA binding domain
J Chem Theory Comput
(2009)
5
1380
(doi: 10.1021/ct8005387)
Refined kinetic transition networks for the GB1 hairpin peptide
Physical chemistry chemical physics : PCCP
(2009)
11
3341
(doi: 10.1039/b820649j)
