The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Computational Biochemistry and Biophysics
Abstract
Computational methods: atomistic models and force fields dynamics methods conformational analysis treatment of long-range forces and potential internal co-ordinate simulation method implicit solvent models normal mode analysis of biological molecules free energy calculations reaction rates and transition pathways computer simulation of biochemical reactions with QM-MM methods. Experimental data analysis: X-ray and neutron scattering as probes of the dynamics of biological molecules applications of molecular modelling in NMR structure determination. Modelling and design: comparative protein structure modelling Bayesian statistics in molecular and structural biology. Computer-aided drug design. Advanced applications: protein folding simulations of electron transfer proteins the RISM-SCF/MCSCF approach for the chemical processes in solutions nucleic acids simulations membrane simulations. Appendix: useful Web sites.
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Cites
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Metropolis, N., & Ulam, S. (1949) · Journal of the American Statistical Association · doi:10.1080/01621459.1949.10483310 · Cited by 6,474
Cited by
The Amber biomolecular simulation programs
Case, D. A., Cheatham, T. E., Darden, T., Gohlke, H., Luo, R., Merz, K. M., Onufriev, A., Simmerling, C., Wang, B., & Woods, R. J. (2005) · Journal of Computational Chemistry · doi:10.1002/jcc.20290 · Cited by 9,535
CHARMM‐GUI: A web‐based graphical user interface for CHARMM
Jo, S., Kim, T., Iyer, V. G., & Im, W. (2008) · Journal of Computational Chemistry · doi:10.1002/jcc.20945 · Cited by 9,284
Molecular dynamics simulations of biomolecules
Karplus, M., & McCammon, J. A. (2002) · Nature Structural Biology · doi:10.1038/nsb0902-646 · Cited by 3,386
A simple polarizable model of water based on classical Drude oscillators
Lamoureux, G., MacKerell, A. D., & Roux, B. (2003) · The Journal of Chemical Physics · doi:10.1063/1.1598191 · Cited by 688
Computational electrochemistry: prediction of liquid-phase reduction potentials
Marenich, A. V., Ho, J., Coote, M. L., Cramer, C. J., & Truhlar, D. G. (2014) · Phys. Chem. Chem. Phys. · doi:10.1039/c4cp01572j · Cited by 508
Metadata
- Venue
- CRC Press eBooks
- Publisher
- CRC Press
- Published
- 2001-02-09
- OpenAlex
- W614018474
- Cited by
- 492
- References
- 2
- Type
- reference entry
- 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).
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