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100 related items for PubMed ID: 17343439

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  • 3. Calculating potentials of mean force and diffusion coefficients from nonequilibrium processes without Jarzynski's equality.
    Kosztin I, Barz B, Janosi L.
    J Chem Phys; 2006 Feb 14; 124(6):64106. PubMed ID: 16483195
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  • 4. Calculating potentials of mean force from steered molecular dynamics simulations.
    Park S, Schulten K.
    J Chem Phys; 2004 Apr 01; 120(13):5946-61. PubMed ID: 15267476
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  • 5. Direct determination of reaction paths and stationary points on potential of mean force surfaces.
    Li G, Cui Q.
    J Mol Graph Model; 2005 Oct 01; 24(2):82-93. PubMed ID: 16005650
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  • 6. Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface.
    Hu H, Lu Z, Parks JM, Burger SK, Yang W.
    J Chem Phys; 2008 Jan 21; 128(3):034105. PubMed ID: 18205486
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  • 10. Free energies and forces in helix-coil transition of homopolypeptides under stretching.
    Zegarra FC, Peralta GN, Coronado AM, Gao YQ.
    Phys Chem Chem Phys; 2009 May 28; 11(20):4019-24. PubMed ID: 19440631
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  • 11. Adaptive steered molecular dynamics: validation of the selection criterion and benchmarking energetics in vacuum.
    Ozer G, Quirk S, Hernandez R.
    J Chem Phys; 2012 Jun 07; 136(21):215104. PubMed ID: 22697572
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  • 12. An interpretation of potential scale dependence of the effective matrix diffusion coefficient.
    Liu HH, Zhang YQ, Zhou Q, Molz FJ.
    J Contam Hydrol; 2007 Feb 20; 90(1-2):41-57. PubMed ID: 17067718
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  • 13. Force-based analysis of multidimensional energy landscapes: application of dynamic force spectroscopy and steered molecular dynamics simulations to an antibody fragment-peptide complex.
    Morfill J, Neumann J, Blank K, Steinbach U, Puchner EM, Gottschalk KE, Gaub HE.
    J Mol Biol; 2008 Sep 19; 381(5):1253-66. PubMed ID: 18619976
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  • 16. Measurement of work in single-molecule pulling experiments.
    Mossa A, de Lorenzo S, Huguet JM, Ritort F.
    J Chem Phys; 2009 Jun 21; 130(23):234116. PubMed ID: 19548720
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  • 17. Formulation of improved basis sets for the study of polymer dynamics through diffusion theory methods.
    Gaspari R, Rapallo A.
    J Chem Phys; 2008 Jun 28; 128(24):244109. PubMed ID: 18601319
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  • 18. Calculation of the distribution of eigenvalues and eigenvectors in Markovian state models for molecular dynamics.
    Hinrichs NS, Pande VS.
    J Chem Phys; 2007 Jun 28; 126(24):244101. PubMed ID: 17614531
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