DOI: 10.1006/jcph.1999.6231. A Direct Approach to Conformational Dynamics Based on Hybrid Monte Carlo

A Direct Approach to Conformational Dynamics Based on Hybrid Monte Carlo

10.1006/jcph.1999.6231

Crossref journal-article

Elsevier BV

Journal of Computational Physics (78)

Bibliography

SchÃ¼tte, C., Fischer, A., Huisinga, W., & Deuflhard, P. (1999). A Direct Approach to Conformational Dynamics Based on Hybrid Monte Carlo. Journal of Computational Physics, 151(1), 146â168.

Authors 4

Ch Schütte (first)
A Fischer (additional)
W Huisinga (additional)
P Deuflhard (additional)

References 47 Referenced 313

{'key': '10.1006/jcph.1999.6231_RF1', 'first-page': '98', 'article-title': 'Computation of essential molecular dynamics by subdivision techniques', 'volume': '4', 'author': 'Deuflhard', 'year': '1998', 'journal-title': 'Computational Molecular Dynamics: Challenges, Methods, Ideas'} / Computational Molecular Dynamics: Challenges, Methods, Ideas / Computation of essential molecular dynamics by subdivision techniques by Deuflhard (1998)
P. Deuflhard, W. Huisinga, A. Fischer, C. Schütte, Konrad Zuse Zentrum, Berlin, http://www.zib.de/bib/pub/pw/
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10.1137/0916028 / SIAM J. Sci. Comp. / An improved spectral graph partitioning algorithm for mapping parallel computations by Hendrickson (1995)
{'key': '10.1006/jcph.1999.6231_RF5', 'article-title': 'Molecular dynamics of conformational substrates for a simplified protein model', 'volume': '101', 'author': 'Grubmueller', 'year': '1994', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. / Molecular dynamics of conformational substrates for a simplified protein model by Grubmueller (1994)
10.1103/PhysRevE.52.2893 / Phys. Rev. E / Predicting slow structural transitions in macromolecular system: Conformational flooding by Grubmueller (1995)
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10.1080/00268979500101921 / Mol. Phys. / Parallel Gibbs-ensemble simulations by Loyens (1995)
10.1103/PhysRevLett.61.2635 / Phys. Rev. Lett. / New Monte Carlo technique for studying phase transitions by Ferrenberg (1988)
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10.1002/(SICI)1096-987X(19981130)19:15<1689::AID-JCC2>3.0.CO;2-J / J. Comput. Chem. / Hybrid Monte Carlo with adaptive temperature in mixed-canonical ensemble: Efficient conformational analysis of RNA by Fischer (1998)
10.1002/prot.340170408 / Proteins / Essential dynamics of proteins by Amadei (1993)
{'key': '10.1006/jcph.1999.6231_RF14', 'author': 'Allen', 'year': '1990', 'journal-title': 'Computer Simulations of Liquids'} / Computer Simulations of Liquids by Allen (1990)
M. Dellnitz, A. Hohmann, Nonlinear Dynamical Systems and Chaos, H. BroerS. van GilsI. HoveijnF. Takens, Birkhäuser, Basel, 1996, 19, 449 (10.1007/978-3-0348-7518-9_21)
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10.1007/978-1-4612-4286-4 / Chaos, Fractals and Noise by Lasota (1994)
C. Schütte, Conformational Dynamics: Modelling, Theory, Algorithm, and Application to Biomolecules
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A. Berman, R. J. Plemmons, SIAM, Philadelphia, 1994
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L. Tierney, Markov Chain Monte-Carlo in Practice, W. GilksS. RichardsonD. Spiegelhalter, Chapman & Hall, London/Glasgow/New York/Tokyo, 1997, 59
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W. Huisinga, et al., From simulation data to conformational ensembles: Structure and dynamics based methods, Konrad Zuse Zentrum, Berlin, http://www.z.b.de/huisinga, submitted for publication

Dates

Type	When
Created	22 years, 10 months ago (Oct. 7, 2002, 9:09 a.m.)
Deposited	5 years, 8 months ago (Dec. 17, 2019, 7:34 a.m.)
Indexed	2 weeks, 3 days ago (Aug. 20, 2025, 8:48 a.m.)
Issued	26 years, 4 months ago (May 1, 1999)
Published	26 years, 4 months ago (May 1, 1999)
Published Print	26 years, 4 months ago (May 1, 1999)

Funders 0

None

BibTeX

@article{Sch_tte_1999, title={A Direct Approach to Conformational Dynamics Based on Hybrid Monte Carlo}, volume={151}, ISSN={0021-9991}, url={http://dx.doi.org/10.1006/jcph.1999.6231}, DOI={10.1006/jcph.1999.6231}, number={1}, journal={Journal of Computational Physics}, publisher={Elsevier BV}, author={Schütte, Ch and Fischer, A and Huisinga, W and Deuflhard, P}, year={1999}, month=may, pages={146–168} }

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