Unorthodox uses of Bennett's acceptance ratio method.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 11, p. 1712, doi. 10.1002/jcc.21255
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2009 AND VI 30 AND IP 11
Results: 11
1
2
Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 11, p. 1701, doi. 10.1002/jcc.21268
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- Publication type:
- Article
3
Free energy simulations reveal a double mutant avian H5N1 virus hemagglutinin with altered receptor binding specificity.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 11, p. 1654, doi. 10.1002/jcc.21274
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- Publication type:
- Article
4
Using multistate free energy techniques to improve the efficiency of replica exchange accelerated molecular dynamics.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 11, p. 1719, doi. 10.1002/jcc.21285
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- Publication type:
- Article
5
λ-Dynamics free energy simulation methods.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 11, p. 1692, doi. 10.1002/jcc.21295
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- Publication type:
- Article
6
Reconstructing the equilibrium Boltzmann distribution from well-tempered metadynamics.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 11, p. 1615, doi. 10.1002/jcc.21305
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- Publication type:
- Article
7
On-the-path random walk sampling for efficient optimization of minimum free-energy path.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 11, p. 1649, doi. 10.1002/jcc.21311
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- Publication type:
- Article
8
Artificial reaction coordinate “tunneling” in free-energy calculations: The catalytic reaction of RNase H.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 11, p. 1634, doi. 10.1002/jcc.21312
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- Publication type:
- Article
9
Novel free energy calculations to explore mechanisms and energetics of membrane protein structure and function.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 11, p. 1622, doi. 10.1002/jcc.21320
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- Article
10
Some recent techniques for free energy calculations.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 11, p. 1737, doi. 10.1002/jcc.21332
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- Publication type:
- Article
11
Absolute free energies estimated by combining precalculated molecular fragment libraries.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 11, p. 1680, doi. 10.1002/jcc.21337
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- Publication type:
- Article