3 Result(s)
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Karel Berka
Chemistry
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Article
Open AccessCorrection to: Optimized SQE atomic charges for peptides accessible via a web application
A Correction to this paper has been published: https://doi.org/10.1186/s13321-021-00528-w
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Article
Open AccessOptimized SQE atomic charges for peptides accessible via a web application
Partial atomic charges find many applications in computational chemistry, chemoinformatics, bioinformatics, and nanoscience. Currently, frequently used methods for charge calculation are the Electronegativity ...
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Article
Open AccessMOLE 2.0: advanced approach for analysis of biomacromolecular channels
Channels and pores in biomacromolecules (proteins, nucleic acids and their complexes) play significant biological roles, e.g., in molecular recognition and enzyme substrate specificity.
