DOI: 10.1021/ja00240a001. An approach to the application of free energy perturbation methods using molecular dynamics: applications to the transformations of methanol .fwdarw. ethane, oxonium .fwdarw. ammonium, glycine .fwdarw. alanine, and alanine .fwdarw. phenylalanine in aqueous solution and to H3O+(H2O)3 .fwdarw. NH4+(H2O)3 in the gas phase

An approach to the application of free energy perturbation methods using molecular dynamics: applications to the transformations of methanol .fwdarw. ethane, oxonium .fwdarw. ammonium, glycine .fwdarw. alanine, and alanine .fwdarw. phenylalanine in aqueous solution and to H3O+(H2O)3 .fwdarw. NH4+(H2O)3 in the gas phase

10.1021/ja00240a001

Crossref journal-article

American Chemical Society (ACS)

Journal of the American Chemical Society (316)

Bibliography

Singh, U. C., Brown, F. K., Bash, P. A., & Kollman, P. A. (1987). An approach to the application of free energy perturbation methods using molecular dynamics: applications to the transformations of methanol .fwdarw. ethane, oxonium .fwdarw. ammonium, glycine .fwdarw. alanine, and alanine .fwdarw. phenylalanine in aqueous solution and to H3O+(H2O)3 .fwdarw. NH4+(H2O)3 in the gas phase. Journal of the American Chemical Society, 109(6), 1607â1614.

Authors 4

U. C. Singh (first)
Frank K. Brown (additional)
Paul A. Bash (additional)
Peter A. Kollman (additional)

References 0 Referenced 200

None

Dates

Type	When
Created	20 years, 5 months ago (March 18, 2005, 4:45 p.m.)
Deposited	2 years, 5 months ago (March 30, 2023, 11:35 a.m.)
Indexed	4 weeks, 2 days ago (Aug. 7, 2025, 4:54 a.m.)
Issued	38 years, 6 months ago (March 1, 1987)
Published	38 years, 6 months ago (March 1, 1987)
Published Online	23 years, 4 months ago (May 1, 2002)
Published Print	38 years, 6 months ago (March 1, 1987)

Funders 0

None

BibTeX

@article{Singh_1987, title={An approach to the application of free energy perturbation methods using molecular dynamics: applications to the transformations of methanol .fwdarw. ethane, oxonium .fwdarw. ammonium, glycine .fwdarw. alanine, and alanine .fwdarw. phenylalanine in aqueous solution and to H3O+(H2O)3 .fwdarw. NH4+(H2O)3 in the gas phase}, volume={109}, ISSN={1520-5126}, url={http://dx.doi.org/10.1021/ja00240a001}, DOI={10.1021/ja00240a001}, number={6}, journal={Journal of the American Chemical Society}, publisher={American Chemical Society (ACS)}, author={Singh, U. C. and Brown, Frank K. and Bash, Paul A. and Kollman, Peter A.}, year={1987}, month=mar, pages={1607–1614} }

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