| scholarly article | Q13442814 |
| P50 | author | Ken A. Dill | Q6387211 |
| John D. Chodera | Q41044041 | ||
| David L. Mobley | Q55143475 | ||
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| P433 | issue | 3 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | 938-946 | |
| P577 | publication date | 2008-01-03 | |
| P1433 | published in | Journal of Physical Chemistry B | Q668669 |
| P1476 | title | Treating entropy and conformational changes in implicit solvent simulations of small molecules | |
| P478 | volume | 112 |
| Q47567527 | Absolute binding free energies for octa-acids and guests in SAMPL5 : Evaluating binding free energies for octa-acid and guest complexes in the SAMPL5 blind challenge. |
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| Q58982515 | How accurate are the popular PCM/GB continuum solvation models for calculating the solvation energies of amino acid side-chain analogs? |
| Q33640094 | Intrinsically disordered regions may lower the hydration free energy in proteins: a case study of nudix hydrolase in the bacterium Deinococcus radiodurans |
| Q38732734 | Introducing Charge Hydration Asymmetry into the Generalized Born Model |
| Q30410587 | Lead optimization mapper: automating free energy calculations for lead optimization |
| Q37701502 | Multiscale Free Energy Simulations: An Efficient Method for Connecting Classical MD Simulations to QM or QM/MM Free Energies Using Non-Boltzmann Bennett Reweighting Schemes |
| Q30394968 | Nonlocal Electrostatics in Spherical Geometries Using Eigenfunction Expansions of Boundary-Integral Operators |
| Q30538681 | On the Dielectric "Constant" of Proteins: Smooth Dielectric Function for Macromolecular Modeling and Its Implementation in DelPhi |
| Q36628360 | Parameterization of a geometric flow implicit solvation model |
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| Q30766874 | Prediction of hydration free energies for the SAMPL4 data set with the AMOEBA polarizable force field. |
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| Q43124392 | Predictions of hydration free energies from all-atom molecular dynamics simulations. |
| Q43114172 | Predictions of hydration free energies from continuum solvent with solute polarizable models: the SAMPL2 blind challenge |
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| Q44262192 | Rapid prediction of solvation free energy. 3. Application to the SAMPL2 challenge |
| Q90878673 | Reparametrization of the COSMO Solvent Model for Semiempirical Methods PM6 and PM7 |
| Q43107625 | SAMPL2 and continuum modeling |
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| Q33803629 | The AGBNP2 Implicit Solvation Model. |
| Q34352706 | The Binding Energy Distribution Analysis Method (BEDAM) for the Estimation of Protein-Ligand Binding Affinities |
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