Résultat(s) 1 - 20 résultats de 29 pour la requête 'Brooks, Charles L 3rd', Temps de recherche: 2,06s Affiner les résultats
  1. 1
    A strategy for proline and glycine mutations to proteins with alchemical free energy calculations
    Autres auteurs: “...Brooks, Charles L 3rd...”

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  2. 2
    Accelerating the Generalized Born with Molecular Volume and Solvent Accessible Surface Area Implicit Solvent Model Using Graphics Processing Units
    Autres auteurs: “...Brooks, Charles L 3rd...”

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  3. 3
    CHARMM-GUI ligand reader and modeler for CHARMM force field generation of small molecules
    Autres auteurs: “...Brooks, Charles L 3rd...”

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  4. 4
    A rapid solvent accessible surface area estimator for coarse grained molecular simulations
    Autres auteurs: “...Brooks, Charles L 3rd...”

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  5. 5
    Coupled folding and binding with 2D Window-Exchange Umbrella Sampling
    Autres auteurs: “...Brooks, Charles L 3rd...”

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  6. 6
    Flexible CDOCKER Development and application of a pseudo-explicit structure-based docking method within CHARMM
    Autres auteurs: “...Brooks, Charles L 3rd...”

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  7. 7
    Efficient implementation of constant pH molecular dynamics on modern graphics processors
    Autres auteurs: “...Brooks, Charles L 3rd...”

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  8. 8
    Parallelization and improvements of the generalized born model with a simple sWitching function for modern graphics processors
    Autres auteurs: “...Brooks, Charles L 3rd...”

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  9. 9
    Molecular-Level Insights into Orientation-Dependent Changes in the Thermal Stability of Enzymes Covalently Immobilized on Surfaces
    Autres auteurs: “...Brooks, Charles L 3rd...”

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  10. 10
    PCASSO a fast and efficient Cα-based method for accurately assigning protein secondary structure elements
    Autres auteurs: “...Brooks, Charles L 3rd...”

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  11. 11
    Assessing the quality of absolute hydration free energies among CHARMM-compatible ligand parameterization schemes
    Autres auteurs: “...Brooks, Charles L 3rd...”

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  12. 12
    New paint and a new engine

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  13. 13
    MATCH an atom-typing toolset for molecular mechanics force fields
    Autres auteurs: “...Brooks, Charles L 3rd...”

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  14. 14
    Surveying implicit solvent models for estimating small molecule absolute hydration free energies
    Autres auteurs: “...Brooks, Charles L 3rd...”

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  15. 15
    On the mechanism of crystalline polymorph selection by polymer heteronuclei
    Autres auteurs: “...Brooks, Charles L 3rd...”

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  16. 16
    Applying efficient implicit nongeometric constraints in alchemical free energy simulations
    Autres auteurs: “...Brooks, Charles L 3rd...”

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  17. 17
    Lambda-dynamics free energy simulation methods
    Autres auteurs: “...Brooks, Charles L 3rd...”

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  18. 18
    Prediction of protein loop conformations using multiscale modeling methods with physical energy scoring functions
    Autres auteurs: “...Brooks, Charles L 3rd...”
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  19. 19
    Detailed considerations for a balanced and broadly applicable force field a study of substituted benzenes modeled with OPLS-AA
    Autres auteurs: “...Brooks, Charles L 3rd...”
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  20. 20
    Application of torsion angle molecular dynamics for efficient sampling of protein conformations
    Autres auteurs: “...Brooks, Charles L 3rd...”
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