Protein-ligand interactions based on the fragment molecular orbital method
نویسندگان
چکیده
منابع مشابه
Fragment Molecular Orbital Method: Application to Protein-Ligand Binding
Fragment molecular orbital (FMO) method provides a novel tool for ab initio calculations of large biomolecules. This method overcomes the size limitation difficulties in conventional molecular orbital methods and has several advantages compared to classical force field approaches. While there are many features in this method, we here focus on explaining the issues related to protein-ligand bind...
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ژورنال
عنوان ژورنال: Folia Pharmacologica Japonica
سال: 2017
ISSN: 0015-5691,1347-8397
DOI: 10.1254/fpj.149.240