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  1. 1
    Molecular dynamics study of solubilization of cyclohexane, benzene, and phenol into mixed micelles composed of sodium dodecyl sulfate and octaethylene glycol monododecyl ether

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  2. 2
    Revised mechanism of carboxylation of ribulose-1,5-biphosphate by rubisco from large scale quantum chemical calculations

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  3. 3
    Thermodynamic integration network approach to ion transport through protein channels Perspectives and limits

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  4. 4
    Free-energy calculations of residue mutations in a tripeptide using various methods to overcome inefficient sampling

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  5. 5
    Evaluating thermodynamic integration performance of the new amber molecular dynamics package and assess potential halogen bonds of enoyl-ACP reductase (FabI) benzimidazole inhibitors

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  6. 6
    Orthogonal sampling in free-energy calculations of residue mutations in a tripeptide TI versus λ-LEUS

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