@article{bibcite_218,
  keywords = {Computer Simulation, Models, Molecular, Peptides, Models, Chemical, Proteins, Software, computational biology, Lipids, Quantum Theory, Carbohydrates, Nucleic Acids},
  author = {B. R. Brooks and C. L. Brooks III and A. D. Mackerell and L. Nilsson and R. J. Petrella and B. Roux and Y. Won and G. Archontis and C. Bartels and S. Boresch and A. Caflisch and L. Caves and Q. Cui and A. R. Dinner and M. Feig and S. Fischer and J. Gao and M. Hodoscek and W. Im and K. Kuczera and T. Lazaridis and J. Ma and V. Ovchinnikov and E. Paci and R. W. Pastor and C. B. Post and J. Z. Pu and M. Schaefer and B. Tidor and R. M. Venable and H. L. Woodcock and X. Wu and W. Yang and D. M. York and M. Karplus},
  title = {CHARMM: The biomolecular simulation program},
  abstract = {<p>CHARMM (<b>C</b>hemistry at <b>HAR</b>vard <b>M</b>olecular <b>M</b>echanics) is a highly versatile and widely used molecular simulation program. It has been developed over the last three decades with a primary focus on molecules of biological interest, including proteins, peptides, lipids, nucleic acids, carbohydrates, and small molecule ligands, as they occur in solution, crystals, and membrane environments. For the study of such systems, the program provides a large suite of computational tools that include numerous conformational and path sampling methods, free energy estimators, molecular minimization, dynamics, and analysis techniques, and model-building capabilities. The CHARMM program is applicable to problems involving a much broader class of many-particle systems. Calculations with CHARMM can be performed using a number of different energy functions and models, from mixed quantum mechanical-molecular mechanical force fields, to all-atom classical potential energy functions with explicit solvent and various boundary conditions, to implicit solvent and membrane models. The program has been ported to numerous platforms in both serial and parallel architectures. This article provides an overview of the program as it exists today with an emphasis on developments since the publication of the original CHARMM article in 1983.</p>},
  year = {2009},
  journal = {Journal of Computational Chemistry},
  volume = {30},
  pages = {1545-1614},
  month = {2009 Jul 30},
  issn = {1096-987X},
  doi = {10.1002/jcc.21287},
  language = {eng},
}