AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules
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Title
AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules
Authors
Keywords
Conformationally dependent atomic charges, Biomacromolecules , Drug-like molecules, Paracetamol, Benzoic acids, Protegrin, Proteasome, Allostery, Chemical reactivity
Journal
Journal of Cheminformatics
Volume 7, Issue 1, Pages -
Publisher
Springer Nature
Online
2015-10-23
DOI
10.1186/s13321-015-0099-x
References
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