QM/MM (ONIOM) Calculation on FAK/Dasatinib Docking
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چکیده
منابع مشابه
Zwitterionic versus canonical amino acids over the various defects in zeolites: A two-layer ONIOM calculation
Defects are often considered as the active sites for chemical reactions. Here a variety of defects in zeolites are used to stabilize zwitterionic glycine that is not self-stable in gas phase; in addition, effects of acidic strengths and zeolite channels on zwitterionic stabilization are demonstrated. Glycine zwitterions can be stabilized by all these defects and energetically prefer to canonica...
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ژورنال
عنوان ژورنال: Revista Processos Químicos
سال: 2015
ISSN: 1981-8521
DOI: 10.19142/rpq.v9i18.259