The canonical equilibrium of constrained molecular models.
- Published in:
- European Physical Journal: Special Topics, 2011, v. 200, n. 1, p. 5, doi. 10.1140/epjst/e2011-01517-9
- By:
- Publication type:
- Article
Works matching IS 19516355 AND DT 2011 AND VI 200 AND IP 1
Results: 12
1
2
Constrained macromolecular chains at thermal equilibrium: A quantum-mechanical approach.
- Published in:
- European Physical Journal: Special Topics, 2011, v. 200, n. 1, p. 225, doi. 10.1140/epjst/e2011-01526-8
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- Publication type:
- Article
3
Constraint methods for determining pathways and free energy of activated processes.
- Published in:
- European Physical Journal: Special Topics, 2011, v. 200, n. 1, p. 91, doi. 10.1140/epjst/e2011-01520-2
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- Publication type:
- Article
4
Constrained molecular dynamics in the isothermal-isobaric ensemble and its adaptation for adiabatic free energy dynamics.
- Published in:
- European Physical Journal: Special Topics, 2011, v. 200, n. 1, p. 183, doi. 10.1140/epjst/e2011-01524-x
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- Publication type:
- Article
5
On two possible definitions of the free energy for collective variables.
- Published in:
- European Physical Journal: Special Topics, 2011, v. 200, n. 1, p. 73, doi. 10.1140/epjst/e2011-01519-7
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- Publication type:
- Article
6
Ambient space formulations and statistical mechanics of holonomically constrained Langevin systems.
- Published in:
- European Physical Journal: Special Topics, 2011, v. 200, n. 1, p. 153, doi. 10.1140/epjst/e2011-01523-y
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- Publication type:
- Article
7
Stochastic-dynamical thermostats for constraints and stiff restraints.
- Published in:
- European Physical Journal: Special Topics, 2011, v. 200, n. 1, p. 131, doi. 10.1140/epjst/e2011-01522-0
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- Publication type:
- Article
8
SHAKE parallelization.
- Published in:
- European Physical Journal: Special Topics, 2011, v. 200, n. 1, p. 211, doi. 10.1140/epjst/e2011-01525-9
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- Publication type:
- Article
9
Coarse-graining stiff bonds.
- Published in:
- European Physical Journal: Special Topics, 2011, v. 200, n. 1, p. 107, doi. 10.1140/epjst/e2011-01521-1
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- Publication type:
- Article
10
On the use of slow manifolds in molecular and geophysical fluid dynamics.
- Published in:
- European Physical Journal: Special Topics, 2011, v. 200, n. 1, p. 259, doi. 10.1140/epjst/e2011-01527-7
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- Publication type:
- Article
11
Corrected potential energy functions for constrained molecular dynamics.
- Published in:
- European Physical Journal: Special Topics, 2011, v. 200, n. 1, p. 55, doi. 10.1140/epjst/e2011-01518-8
- By:
- Publication type:
- Article
12
Editorial - Constraints: From physical principles to molecular simulations and beyond.
- Published in:
- 2011
- By:
- Publication type:
- Editorial