The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
Abstract
CHARMM (C hemistry at HAR vard M acromolecular M echanics) is a highly flexible computer program which uses empirical energy functions to model macromolecular systems. The program can read or model build structures, energy minimize them by first‐ or second‐derivative techniques, perform a normal mode or molecular dynamics simulation, and analyze the structural, equilibrium, and dynamic properties determined in these calculations. The operations that CHARMM can perform are described, and some implementation details are given. A set of parameters for the empirical energy function and a sample run are included.
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Cites
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Metadata
- Authors
- Brooks, B. R., Bruccoleri, R. E., Olafson, B. D., States, D. J., Swaminathan, S., & Karplus, M.
- Venue
- Journal of Computational Chemistry
- Publisher
- Wiley
- Published
- 1983-06
- Volume
- 4
- Issue
- 2
- Pages
- 187-217
- ISSN
- 0192-8651 (ISSN-L)
- 1096-987X
- OpenAlex
- W2162166182
- Cited by
- 14,944
- References
- 3
- FWCI
- 11.50
- Type
- journal article
- Language
- en
- Open access
- closed
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