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- Currently displaying 441 - 460 of 709 publications
The energy landscape as a unifying theme in molecular science
Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences
(2004)
363
357-377
(doi: 10.1098/rsta.2004.1497)
Effect of salt bridges on the energy landscape of a model protein.
Journal of Chemical Physics
(2004)
121
10284
(doi: 10.1063/1.1810471)
Analysis of cooperativity and localization for atomic rearrangements.
The Journal of chemical physics
(2004)
121
6689
(doi: 10.1063/1.1794653)
Folding of the GB1 hairpin peptide from discrete path sampling.
The Journal of Chemical Physics
(2004)
121
1080
(doi: 10.1063/1.1759317)
New results for phase transitions from catastrophe theory.
Journal of Chemical Physics
(2004)
120
11090
(doi: 10.1063/1.1740756)
Supercooled Lennard-Jones liquids and glasses: a kinetic Monte Carlo approach
Journal of Non-Crystalline Solids
(2004)
336
218
Some further applications of discrete path sampling to cluster isomerization
Molecular Physics
(2004)
102
891
(doi: 10.1080/00268970410001703363)
Comparison of kinetic Monte Carlo and molecular dynamics simulations of diffusion in a model glass former
The Journal of chemical physics
(2004)
120
8134
(doi: 10.1063/1.1690241)
A coarse-graining of energy landscape of proteins - Structural stability of the most stable states
Aip Conference Proceedings
(2004)
708
344
(doi: 10.1063/1.1764167)
An ab initio study of tunneling splittings in the water dimer.
The Journal of Chemical Physics
(2004)
120
5993
(doi: 10.1063/1.1651058)
A doubly nudged elastic band method for finding transition states
The Journal of Chemical Physics
(2004)
120
2082
(doi: 10.1063/1.1636455)
Chemistry. Energy Landscapes: Applications to Clusters, Biomolecules and Glasses D. J. Wales
Sci.
(2004)
305
1108-1109
The dynamics of conformational isomerization in flexible biomolecules. II. Simulating isomerizations in a supersonic free jet with master equation dynamics
J. Chem. Phys.
(2004)
120
148-157
New results for phase transitions from catastrophe theory
J. Chem. Phys.
(2004)
120
11090-11099
Some further applications of discrete path sampling to cluster isomerization
Mol. Phys.
(2004)
102
891-908
The dynamics of conformational isomerization in flexible biomolecules. II. Simulating isomerizations in a supersonic free jet with master equation dynamics.
J Chem Phys
(2004)
120
148
(doi: 10.1063/1.1626541)
Stationary points and dynamics in high-dimensional systems
Journal of Chemical Physics
(2003)
119
12409
(doi: 10.1063/1.1625644)
Exploring energy landscapes with Monte Carlo methods
AIP Conference Proceedings
(2003)
690
334
(doi: 10.1063/1.1632145)
The free energy landscape and dynamics of met-enkephalin
Journal of Chemical Physics
(2003)
119
9947
(doi: 10.1063/1.1616515)
Density effects in a bulk binary Lennard-Jones system - art. no. 144202
Phys. Rev. B
(2003)
68
144202
(doi: 10.1103/physrevb.68.144202)
