Parameterization of the CHARMM All-Atom Force Field for Ether Lipids and Model Linear Ethers
نویسندگان
چکیده
منابع مشابه
CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields
The widely used CHARMM additive all-atom force field includes parameters for proteins, nucleic acids, lipids, and carbohydrates. In the present article, an extension of the CHARMM force field to drug-like molecules is presented. The resulting CHARMM General Force Field (CGenFF) covers a wide range of chemical groups present in biomolecules and drug-like molecules, including a large number of he...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2018
ISSN: 1520-6106,1520-5207
DOI: 10.1021/acs.jpcb.8b02743