Stochastic dynamics of reacting biomolecules


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A black-box re-weighting analysis can correct flawed simulation data, F. Marty Ytreberg and Daniel M. Absolute free energies estimated by combining pre-calculated molecular fragment libraries, Xin Zhang, Artem Mamonov, and Daniel M. B, Mamonov, Xin Zhang, and Daniel M.

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PMCID in process. Demonstrated convergence of the equilibrium ensemble for a fast united-residue protein model, F.

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Mamonov, Divesh Bhatt, Daniel M. Zuckerman, Current Topics in Medicinal Chemistry, Woolf, A. Grossfield, and D. Pratt and G.

Hummer American Inst. N, Killian J. Langmuir Molecular dynamics simulations of ionic concentration gradients across model bilayers Sachs J. Letter to the editor regarding postdoctoral welfare, Daniel M. Zuckerman, Science DOI: Zuckerman, Pittsburgh Post-Gazette Sept.


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Free Energy Computations Overcoming finite-sampling errors in fast-switching free energy estimates: Extrapolative analysis of a molecular system D. Woolf Chem. Systematic finite-sampling inaccuracy in free energy differences and other nonlinear quantities, D. Zuckerman and T. Woolf, Journal of Statistical Physics, Single-ensemble nonequilibrium path-sampling estimates of free energy differences, F. Efficient use of nonequilibrium measurement to estimate free energy differences for molecular systems, F. Peptide Conformational equilibria computed via a single-stage shifting protocol, F.

Comparison of free energy methods for molecular systems, Ytreberg, F. Swendsen, and D.


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    Zuckerman and R. Bruinsma , Phys. Martin, Z. Wang, D. Bruinsma, and P. Pincus J. II France 7, Bruinsma Phys.

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    E 57, Fisher, D. Kalman, K. Blagoev and J. Rommel Plenum Publ. Dynamic reaction paths and rates through importance-sampled stochastic dynamics D. Efficient dynamic importance sampling of rare events in one dimension D. Overcoming finite-sampling errors in fast-switching free energy estimates: Extrapolative analysis of a molecular system D.

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    Stochastic Dynamics Of Reacting Biomolecules

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    Stochastic dynamics of reacting biomolecules Stochastic dynamics of reacting biomolecules
    Stochastic dynamics of reacting biomolecules Stochastic dynamics of reacting biomolecules
    Stochastic dynamics of reacting biomolecules Stochastic dynamics of reacting biomolecules
    Stochastic dynamics of reacting biomolecules Stochastic dynamics of reacting biomolecules
    Stochastic dynamics of reacting biomolecules Stochastic dynamics of reacting biomolecules
    Stochastic dynamics of reacting biomolecules Stochastic dynamics of reacting biomolecules
    Stochastic dynamics of reacting biomolecules Stochastic dynamics of reacting biomolecules

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