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Molecular modeling of organic and biomolecular systems using BOSS and MCPRO
Abstract
An overview is provided of the capabilities for the current versions of the BOSS and MCPRO programs for molecular modeling of organic and biomolecular systems. Recent applications are noted, particularly for QM/MM studies of organic and enzymatic reactions and for protein‐ligand binding. © 2005 Wiley Periodicals, Inc. J Comput Chem 26: 1689–1700, 2005
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Cited by
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Jo, S., Kim, T., Iyer, V. G., & Im, W. (2008) · Journal of Computational Chemistry · doi:10.1002/jcc.20945 · Cited by 9,284
Wang, L., Wu, Y., Deng, Y., Kim, B., Pierce, L., Krilov, G., Lupyan, D., Robinson, S., Dahlgren, M. K., Greenwood, J., et al. (2015) · Journal of the American Chemical Society · doi:10.1021/ja512751q · Cited by 1,313
Self-citationImproved Peptide and Protein Torsional Energetics with the OPLS-AA Force Field
Robertson, M. J., Tirado-Rives, J., & Jorgensen, W. L. (2015) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.5b00356 · Cited by 854
Self-citationRevisiting OPLS Force Field Parameters for Ionic Liquid Simulations
Doherty, B., Zhong, X., Gathiaka, S., Li, B., & Acevedo, O. (2017) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.7b00520 · Cited by 594
Halide, Ammonium, and Alkali Metal Ion Parameters for Modeling Aqueous Solutions
Jensen, K. P., & Jorgensen, W. L. (2006) · Journal of Chemical Theory and Computation · doi:10.1021/ct600252r · Cited by 451
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Metadata
- Authors
- Jorgensen, W. L., & Tirado–Rives, J.
- Venue
- Journal of Computational Chemistry
- Publisher
- Wiley
- Published
- 2005-09-30
- Volume
- 26
- Issue
- 16
- Pages
- 1689-1700
- ISSN
- 0192-8651 (ISSN-L)
- 1096-987X
- OpenAlex
- W1990161102
- Cited by
- 432
- References
- 0
- FWCI
- 11.07
- Type
- journal article
- Language
- en
- Open access
- closed
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
