AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules
نویسندگان
چکیده
منابع مشابه
AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules
BACKGROUND Partial atomic charges are a well-established concept, useful in understanding and modeling the chemical behavior of molecules, from simple compounds, to large biomolecular complexes with many reactive sites. RESULTS This paper introduces AtomicChargeCalculator (ACC), a web-based application for the calculation and analysis of atomic charges which respond to changes in molecular co...
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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2015
ISSN: 1758-2946
DOI: 10.1186/s13321-015-0099-x