The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Biomolecular Simulations: Recent Developments in Force Fields, Simulations of Enzyme Catalysis, Protein-Ligand, Protein-Protein, and Protein-Nucleic Acid Noncovalent Interactions
Abstract
▪ Abstract Computer modeling has been developed and widely applied in studying molecules of biological interest. The force field is the cornerstone of computer simulations, and many force fields have been developed and successfully applied in these simulations. Two interesting areas are (a) studying enzyme catalytic mechanisms using a combination of quantum mechanics and molecular mechanics, and (b) studying macromolecular dynamics and interactions using molecular dynamics (MD) and free energy (FE) calculation methods. Enzyme catalysis involves forming and breaking of covalent bonds and requires the use of quantum mechanics. Noncovalent interactions appear ubiquitously in biology, but here we confine ourselves to review only noncovalent interactions between protein and protein, protein and ligand, and protein and nucleic acids.
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Citations
Cites
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Kollman, P. A., Massova, I., Reyes, C., Kuhn, B., Huo, S., Chong, L., Lee, M., Lee, T., Duan, Y., Wang, W., et al. (2000) · Accounts of Chemical Research · doi:10.1021/ar000033j · Cited by 4,978
Self-citation
Cited by
Hou, T., Wang, J., Li, Y., & Wang, W. (2011) · Journal of Chemical Information and Modeling · doi:10.1021/ci100275a · Cited by 2,773
Self-citationA semiempirical free energy force field with charge‐based desolvation
Huey, R., Morris, G. M., Olson, A. J., & Goodsell, D. S. (2007) · Journal of Computational Chemistry · doi:10.1002/jcc.20634 · Cited by 2,246
Unraveling hot spots in binding interfaces: progress and challenges
DeLano, W. L. (2002) · Current Opinion in Structural Biology · doi:10.1016/s0959-440x(02)00283-x · Cited by 767
Huang, S.-Y., Grinter, S. Z., & Zou, X. (2010) · Physical Chemistry Chemical Physics · doi:10.1039/c0cp00151a · Cited by 508
Binding MOAD (Mother Of All Databases)
Hu, L., Benson, M. L., Smith, R. D., Lerner, M. G., & Carlson, H. A. (2005) · Proteins: Structure, Function, and Bioinformatics · doi:10.1002/prot.20512 · Cited by 328
Metadata
- Authors
- Wang, W., Donini, O., Reyes, C. M., & Kollman, P. A.
- Venue
- Annual Review of Biophysics and Biomolecular Structure
- Publisher
- Annual Reviews
- Published
- 2001-06
- Volume
- 30
- Issue
- 1
- Pages
- 211-243
- ISSN
- 1056-8700 (ISSN-L)
- 1545-4266
- OpenAlex
- W2109539263
- Cited by
- 547
- References
- 2
- FWCI
- 7.27
- Type
- journal article
- Language
- en
- Open access
- closed
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- Wang, W., Donini, O., Reyes, C. M., & Kollman, P. A. (2001). Biomolecular Simulations: Recent Developments in Force Fields, Simulations of Enzyme Catalysis, Protein-Ligand, Protein-Protein, and Protein-Nucleic Acid Noncovalent Interactions. Annual Review of Biophysics and Biomolecular Structure. https://doi.org/10.1146/annurev.biophys.30.1.211
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