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ICSM: An order N method for calculating electrostatic interactions added to TINKER
We present an order N method for calculating electrostatic interactions that has been integrated into the molecular dynamics portion of the TINKER Molecular Modeling package. This method, introduced in a previous paper [J. Chem. Phys. 131 (2009) 154103] and termed the Image-Charge Solvation Model (I...
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| Autors principals: | , , , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2012
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3472439/ https://ncbi.nlm.nih.gov/pubmed/23087451 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.cpc.2012.08.003 |
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