DOI: 10.1021/ct3003755. Efficient Free Energy Calculation of Biomolecules from Diffusion-Biased Molecular Dynamics

Efficient Free Energy Calculation of Biomolecules from Diffusion-Biased Molecular Dynamics

10.1021/ct3003755

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Theory and Computation (316)

Bibliography

Singh, S., Chiu, C.-C., & de Pablo, J. J. (2012). Efficient Free Energy Calculation of Biomolecules from Diffusion-Biased Molecular Dynamics. Journal of Chemical Theory and Computation, 8(11), 4657â4662.

Authors 3

Sadanand Singh (first)
Chi-Cheng Chiu (additional)
Juan J. de Pablo (additional)

References 21 Referenced 10

10.1103/PhysRevLett.86.2050 / Phys. Rev. Lett. by Wang F. G. (2001)
10.1063/1.2994717 / J. Chem. Phys. by Escobedo F. A. (2008)
10.1021/jp100926h / J. Phys. Chem. B by Dickson B. M. (2010)
10.1073/pnas.202427399 / Proc. Natl. Acad. Sci. U. S. A. by Laio A. (2002)
10.1103/PhysRevE.76.026701 / Phys. Rev. E by Morozov A. N. (2007)
10.1103/PhysRevLett.92.097201 / Phys. Rev. Lett. by Dayal P. (2004)
10.1103/PhysRevE.70.046701 / Phys. Rev. E by Trebst S. (2004)
10.1016/S0006-3495(03)74810-3 / Biophys. J. by Rathore N. (2003)
10.1088/0034-4885/71/12/126601 / Rep. Prog. Phys. by Laio A. (2008)
10.1103/PhysRevE.81.055701 / Phys. Rev. E by Crespo Y. (2010)
10.1103/PhysRevLett.100.020603 / Phys. Rev. Lett. by Barducci A. (2008)
10.1063/1.2731769 / J. Chem. Phys. by Min D. H. (2007)
10.1007/s10955-011-0301-0 / J. Stat. Phys. by Singh S. (2011)
10.1529/biophysj.104.051938 / Biophys. J. by Sorin E. J. (2005)
10.1063/1.463940 / J. Chem. Phys. by Martyna G. J. (1992)
10.1063/1.328693 / J. Appl. Phys. by Parrinello M. (1981)
10.1063/1.464397 / J. Chem. Phys. by Darden T. (1993)
{'key': 'ref18/cit18', 'first-page': '1', 'author': 'Kastner J.', 'year': '2011', 'journal-title': 'Wiley Interdiscip. Rev.: Comput. Mol. Sci.'} / Wiley Interdiscip. Rev.: Comput. Mol. Sci. by Kastner J. (2011)
10.1002/prot.20033 / Proteins: Struct., Funct., Bioinf. by Onufriev A. (2004)
10.1002/jcc.540130812 / J. Comput. Chem. by Kumar S. (1992)
10.1103/PhysRevE.72.025701 / Phys. Rev. E by Zhou C. G. (2005)

Dates

Type	When
Created	12 years, 10 months ago (Oct. 9, 2012, 1:15 p.m.)
Deposited	2 years, 4 months ago (April 23, 2023, 6:01 p.m.)
Indexed	1 year, 11 months ago (Aug. 28, 2023, 1:32 p.m.)
Issued	12 years, 10 months ago (Oct. 24, 2012)
Published	12 years, 10 months ago (Oct. 24, 2012)
Published Online	12 years, 10 months ago (Oct. 24, 2012)
Published Print	12 years, 9 months ago (Nov. 13, 2012)

Funders 0

None

BibTeX

@article{Singh_2012, title={Efficient Free Energy Calculation of Biomolecules from Diffusion-Biased Molecular Dynamics}, volume={8}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/ct3003755}, DOI={10.1021/ct3003755}, number={11}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Singh, Sadanand and Chiu, Chi-Cheng and de Pablo, Juan J.}, year={2012}, month=oct, pages={4657–4662} }

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