The DOI matches its Crossref record; 26 of the 26 references it cites were found in a registry or an index.
Cellulose‐Builder: A toolkit for building crystalline structures of cellulose
Open accessAbstract
Cellulose‐builder is a user‐friendly program that builds crystalline structures of cellulose of different sizes and geometries. The program generates Cartesian coordinates for all atoms of the specified structure in the Protein Data Bank format, suitable for using as starting configurations in molecular dynamics simulations and other calculations. Crystalline structures of cellulose polymorphs Iα, Iβ, II, and III I of practically any size are readily constructed which includes parallelepipeds, plant cell wall cellulose elementary fibrils of any length, and monolayers. Periodic boundary conditions along the crystallographic directions are easily imposed. The program also generates atom connectivity file in PSF format, required by well‐known simulation packages such as NAMD, CHARMM, and others. Cellulose‐builder is based on the Bash programming language and should run on practically any Unix‐like platform, demands very modest hardware, and is freely available for download from ftp://ftp.iqm.unicamp.br/pub/cellulose‐builder. © 2012 Wiley Periodicals, Inc.
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VMD: visual molecular dynamics
Humphrey, W., Dalke, A., & Schulten, K. (1996) · Journal of Molecular Graphics · doi:10.1016/0263-7855(96)00018-5 · Cited by 66,952
Scalable molecular dynamics with NAMD
Phillips, J. C., Braun, R., Wang, W., Gumbart, J., Tajkhorshid, E., Villa, E., Chipot, C., Skeel, R. D., Kalé, L., & Schulten, K. (2005) · Journal of Computational Chemistry · doi:10.1002/jcc.20289 · Cited by 16,914
P ACKMOL : A package for building initial configurations for molecular dynamics simulations
Martínez, L., Andrade, R., Birgin, E. G., & Martínez, J. M. (2009) · Journal of Computational Chemistry · doi:10.1002/jcc.21224 · Cited by 9,796
CHARMM: The biomolecular simulation program
Brooks, B. R., Brooks, C. L., Mackerell, A. D., Nilsson, L., Petrella, R. J., Roux, B., Won, Y., Archontis, G., Bartels, C., Boresch, S., et al. (2009) · Journal of Computational Chemistry · doi:10.1002/jcc.21287 · Cited by 8,939
Dissolution of Cellose with Ionic Liquids
Swatloski, R. P., Spear, S. K., Holbrey, J. D., & Rogers, R. D. (2002) · Journal of the American Chemical Society · doi:10.1021/ja025790m · Cited by 4,728
Biochemistry and molecular biology of plants
Short, T. W. (2001) · Biochemistry and Molecular Biology Education · Cited by 3,833
International Tables for Crystallography: Physical properties of crystals
(2013) · International Tables for Crystallography · doi:10.1107/97809553602060000113 · Cited by 3,794
Nishiyama, Y., Langan, P., & Chanzy, H. (2002) · Journal of the American Chemical Society · doi:10.1021/ja0257319 · Cited by 3,028
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An Oxidative Enzyme Boosting the Enzymatic Conversion of Recalcitrant Polysaccharides
Vaaje-Kolstad, G., Westereng, B., Horn, S. J., Liu, Z., Zhai, H., Sørlie, M., & Eijsink, V. G. H. (2010) · Science · doi:10.1126/science.1192231 · Cited by 1,341
Cited by
Martini 3 Coarse-Grained Force Field for Carbohydrates
Grünewald, F., Punt, M. H., Jefferys, E. E., Vainikka, P. A., König, M., Virtanen, V., Meyer, T. A., Pezeshkian, W., Gormley, A. J., Karonen, M., et al. (2022) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.2c00757 · Cited by 116
Metadata
- Authors
- Gomes, T. C. F., & Skaf, M. S.
- Venue
- Journal of Computational Chemistry
- Publisher
- Wiley
- Published
- 2012-03-15
- Volume
- 33
- Issue
- 14
- Pages
- 1338-1346
- ISSN
- 0192-8651 (ISSN-L)
- 1096-987X
- OpenAlex
- W2074099991
- Cited by
- 311
- References
- 26
- FWCI
- 3.49
- Type
- journal article
- Language
- en
- Open access
- bronze
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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