ChemInform Abstract: An Approach to the Application of Free Energy Perturbation Methods Using Molecular Dynamics: Applications to the Transformations of CH3OH → CH3CH3, H3O+ → NH+ 4, Glycine → Alanine, and Alanine → Phenylalanine in Aqueous Solution and to H3O+(H2O)3 → NH+ 4(H2O)3 in the Gas Phase.

U C Singh,P A Bash,F K Brown,P A Kollman

doi:10.1002/chin.198730038

ChemInform Abstract: An Approach to the Application of Free Energy Perturbation Methods Using Molecular Dynamics: Applications to the Transformations of CH3OH → CH3CH3, H3O+ → NH+ 4, Glycine → Alanine, and Alanine → Phenylalanine in Aqueous Solution and to H3O+(H2O)3 → NH+ 4(H2O)3 in the Gas Phase.

U C Singh, P A Bash + Show 2 more

https://doi.org/10.1002/chin.198730038

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Journal: ChemInform	Publication Date: Jul 28, 1987
Citations: 4

Affiliation: University of East Anglia

#Phenylalanine In Aqueous Solution #Gas Phase + Show 8 more

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ChemInform Abstract: An Approach to the Application of Free Energy Perturbation Methods Using Molecular Dynamics: Applications to the Transformations of CH3OH → CH3CH3, H3O+ → NH+ 4, Glycine → Alanine, and Alanine → Phenylalanine in Aqueous Solution and to H3O+(H2O)3 → NH+ 4(H2O)3 in the Gas Phase.

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