CHARMM-GUI MDFF/xMDFF Utilizer for Molecular Dynamics Flexible Fitting Simulations in Various Environments
نویسندگان
چکیده
منابع مشابه
CHARMM-GUI MDFF/xMDFF Utilizer for Molecular Dynamics Flexible Fitting Simulations in Various Environments.
X-ray crystallography and cryo-electron microscopy are two popular methods for the structure determination of biological molecules. Atomic structures are derived through the fitting and refinement of an initial model into electron density maps constructed by both experiments. Two computational approaches, MDFF and xMDFF, have been developed to facilitate this process by integrating the experime...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2016
ISSN: 1520-6106,1520-5207
DOI: 10.1021/acs.jpcb.6b10568