DOI: 10.1021/jp062755j. Self-healing Umbrella Sampling: A Non-equilibrium Approach for Quantitative Free Energy Calculations

Self-healing Umbrella Sampling: A Non-equilibrium Approach for Quantitative Free Energy Calculations

10.1021/jp062755j

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry B (316)

Bibliography

Marsili, S., Barducci, A., Chelli, R., Procacci, P., & Schettino, V. (2006). Self-healing Umbrella Sampling:â A Non-equilibrium Approach for Quantitative Free Energy Calculations. The Journal of Physical Chemistry B, 110(29), 14011â14013.

Authors 5

Simone Marsili (first)
Alessandro Barducci (additional)
Riccardo Chelli (additional)
Piero Procacci (additional)
Vincenzo Schettino (additional)

References 13 Referenced 111

10.1016/0009-2614(74)80109-0 / Chem. Phys. Lett. by Torrie G. M. (1974)
{'key': 'jp062755jb00002/jp062755jb00002_1', 'volume-title': 'Introduction to Modern Statistical Mechanics', 'author': 'Chandler D.', 'year': '1987'} / Introduction to Modern Statistical Mechanics by Chandler D. (1987)
10.1016/0021-9991(87)90054-4 / J. Comput. Phys. by Mezei M. (1987)
10.1002/bip.360240802 / Biopolymers by Paine G. H. (1985)
{'issue': '9', 'key': 'jp062755jb00005/jp062755jb00005_1', 'first-page': '6694', 'volume': '97', 'author': 'Hooft R. W. W.', 'year': '1992', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Hooft R. W. W. (1992)
10.1073/pnas.202427399 / Proc. Natl. Acad. Sci. U.S.A. by Laio A. (2002)
10.1063/1.1410978 / J. Chem. Phys. by Darve E. (2001)
10.1063/1.1642607 / J. Chem. Phys. by Rodriguez-Gomez D. (2004)
10.1002/(SICI)1096-987X(19971130)18:15<1848::AID-JCC2>3.0.CO;2-O / J. Comput. Chem. by Procacci P. (1997)
10.1103/PhysRevA.31.1695 / Phys. Rev. A by Hoover W. G. (1985)
10.1002/jcc.10349 / J. Comput. Chem. by Duan Y. (2003)
10.1063/1.445869 / J. Chem. Phys. by Jorgensen W. L. (1983)
{'key': 'jp062755jb00013/jp062755jb00013_1', 'first-page': '8593', 'volume': '103', 'author': 'Essmann U.', 'year': '1995', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Essmann U. (1995)

Dates

Type	When
Created	19 years, 2 months ago (July 6, 2006, 6:56 a.m.)
Deposited	3 years, 11 months ago (Sept. 23, 2021, 8:50 a.m.)
Indexed	1 year ago (Aug. 12, 2024, 7:50 a.m.)
Issued	19 years, 2 months ago (July 1, 2006)
Published	19 years, 2 months ago (July 1, 2006)
Published Online	19 years, 2 months ago (July 6, 2006)
Published Print	19 years, 2 months ago (July 1, 2006)

Funders 0

None

BibTeX

@article{Marsili_2006, title={Self-healing Umbrella Sampling: A Non-equilibrium Approach for Quantitative Free Energy Calculations}, volume={110}, ISSN={1520-5207}, url={http://dx.doi.org/10.1021/jp062755j}, DOI={10.1021/jp062755j}, number={29}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Marsili, Simone and Barducci, Alessandro and Chelli, Riccardo and Procacci, Piero and Schettino, Vincenzo}, year={2006}, month=jul, pages={14011–14013} }

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