DOI: 10.1529/biophysj.106.101899. A Milestoning Study of the Kinetics of an Allosteric Transition: Atomically Detailed Simulations of Deoxy Scapharca Hemoglobin

A Milestoning Study of the Kinetics of an Allosteric Transition: Atomically Detailed Simulations of Deoxy Scapharca Hemoglobin

10.1529/biophysj.106.101899

Crossref journal-article

Elsevier BV

Biophysical Journal (78)

Bibliography

Elber, R. (2007). A Milestoning Study of the Kinetics of an Allosteric Transition: Atomically Detailed Simulations of Deoxy Scapharca Hemoglobin. Biophysical Journal, 92(9), L85âL87.

Authors 1

Ron Elber (first)

References 15 Referenced 87

10.1146/annurev.biophys.27.1.1 / Annu. Rev. Biophys. Biomol. Struct. / The stereochemical mechanism of the cooperative effects in hemoglobin revisited by Perutz (1998)
10.1016/S0021-9258(17)39789-2 / J. Biol. Chem. / Kinetics of ligand binding and quaternary conformational changes in the homodimeric hemoglobin from Scapharca inaequivalvis by Antonini (1984)
10.1073/pnas.0509411103 / Proc. Natl. Acad. Sci. USA / Allosteric transition in real time: Time-resolved crystallographic studies of cooperative dimeric hemoglobin by Knapp (2006)
10.1063/1.1749604 / J. Chem. Phys. / The activated complex in chemical reactions by Eyring (1935)
{'key': '10.1529/biophysj.106.101899_bib5', 'first-page': '1', 'article-title': 'Transition path sampling', 'volume': '123', 'author': 'Dellago', 'year': '2002', 'journal-title': 'Adv. Chem. Phys.'} / Adv. Chem. Phys. / Transition path sampling by Dellago (2002)
10.1063/1.1738640 / J. Chem. Phys. / Computing timescales from reaction coordinates by milestoning by Faradjian (2004)
West, A. M. A., R. Elber, and D. Shalloway. Extending molecular dynamics timescales with milestoning: example of complex kinetics in a solvated peptide. J. Chem. Phys. In press.
10.1016/S0021-9258(18)47241-9 / J. Biol. Chem. / Crystal structure of oxygenated Scapharca dimeric hemoglobin at 1.7Ångström resolution by Condon (1994)
10.1006/jmbi.1994.1019 / J. Mol. Biol. / High-resolution crystallographic analysis of co-operative dimeric hemoglobin by Royer (1994)
10.1093/nar/28.1.235 / Nucleic Acids Res. / The Protein Data Bank by Berman (2000)
10.1002/qua.560382419 / Int. J. Quantum Chem. / Self avoiding walk between two fixed points as a tool to calculate reaction paths in large molecular system by Czerminski (1990)
10.1016/0010-4655(95)00047-J / Comput. Phys. Comm. / MOIL: a program for simulations of macromolecules by Elber (1995)
10.1016/S0021-9258(18)53377-9 / J. Biol. Chem. / Heme-Hem interactions in homodimeric cooperative hemoglobin—evidence from transient Raman scattering by Rousseau (1993)
Nichols, J. C., W. E. Royer, Jr., and Q. H. Gibson. An optical signal correlated with the allosteric transition in Scapharca inaequivalvis HbI. Biochemistry. 45:15748–15755. (10.1021/bi061451k)
10.1063/1.2161211 / J. Chem. Phys. / Efficient computation of the first passage time distribution of the generalized master equation by steady-state relaxation by Shalloway (2006)

Dates

Type	When
Created	18 years, 5 months ago (Feb. 26, 2007, 8:25 p.m.)
Deposited	1 year, 5 months ago (March 4, 2024, 2:44 p.m.)
Indexed	6 months ago (Feb. 21, 2025, 7:18 a.m.)
Issued	18 years, 3 months ago (May 1, 2007)
Published	18 years, 3 months ago (May 1, 2007)
Published Print	18 years, 3 months ago (May 1, 2007)

Funders 1

National Institutes of Health 10.13039/100000002
Region: Americas
gov (National government)
Labels3
1. Institutos Nacionales de la Salud
2. US National Institutes of Health
3. NIH
Awards1
1. GM05979605

BibTeX

@article{Elber_2007, title={A Milestoning Study of the Kinetics of an Allosteric Transition: Atomically Detailed Simulations of Deoxy Scapharca Hemoglobin}, volume={92}, ISSN={0006-3495}, url={http://dx.doi.org/10.1529/biophysj.106.101899}, DOI={10.1529/biophysj.106.101899}, number={9}, journal={Biophysical Journal}, publisher={Elsevier BV}, author={Elber, Ron}, year={2007}, month=may, pages={L85–L87} }

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