The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Potential energy function and parameters for simulations of the molecular dynamics of proteins and nucleic acids in solution
Open accessAbstract
We present the complete set of energy parameters used in the ENCAD (Energy Calculation and Dynamics) simulation program [J. Mol. Biol. 168 (1983) 595]. Full details are given of the form of the potential, which has been designed for efficient simulation of trajectories of macromolecules in solution. Emphasis is placed on energy conservation and the nonbonded truncation schemes needed to achieve it. Simulations of macromolecules in solution with ENCAD are both very stable in that the native structure is preserved at room temperature and efficient in that nanosecond simulations take a few weeks on an ordinary workstation.
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Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
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Can correct protein models be identified?
Wallner, B., & Elofsson, A. (2003) · Protein Science · doi:10.1110/ps.0236803 · Cited by 710
Levitt, M., Hirshberg, M., Sharon, R., Laidig, K. E., & Daggett, V. (1997) · The Journal of Physical Chemistry B · doi:10.1021/jp964020s · Cited by 561
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Metadata
- Authors
- Levitt, M., Hirshberg, M., Sharon, R., & Daggett, V.
- Venue
- Computer Physics Communications
- Publisher
- Elsevier BV
- Published
- 1995-09
- Volume
- 91
- Issue
- 1-3
- Pages
- 215-231
- ISSN
- 0010-4655 (ISSN-L)
- OpenAlex
- W2071545816
- Cited by
- 443
- References
- 1
- FWCI
- 3.91
- Type
- journal article
- Language
- en
- Open access
- hybrid
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- Levitt, M., Hirshberg, M., Sharon, R., & Daggett, V. (1995). Potential energy function and parameters for simulations of the molecular dynamics of proteins and nucleic acids in solution. Computer Physics Communications. https://doi.org/10.1016/0010-4655(95)00049-l
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