Total number of publications: 23
2022
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Alphacharges - a web service for calculating QM-like partial atomic charges for AlphaFold proteins
Year: 2022, type: Appeared in Conference without Proceedings
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Atomic Charge Calculator II – a web service for calculating partial atomic charges
Year: 2022, type: Conference abstract
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Prediction of QM-like partial atomic charges for alphafold
Year: 2022, type: Appeared in Conference without Proceedings
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QM-like partial atomic charges for AlphaFold available online
Year: 2022, type: Conference abstract
2021
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COMPUTER-AIDED MODEL DESIGN OF EMPIRICAL METHODS FOR CALCULATING PARTIAL ATOMIC CHARGES
MODELLING AND SIMULATION 2021: 35TH ANNUAL EUROPEAN SIMULATION AND MODELLING CONFERENCE 2021 (ESM 2021), year: 2021
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Optimized SQE atomic charges for peptides accessible via a web application
Journal of Cheminformatics, year: 2021, volume: 13, edition: 1, DOI
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Partial atomic charges for proteins
Year: 2021, type: Appeared in Conference without Proceedings
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QM-like partial atomic charges for proteins available online
Year: 2021, type: Conference abstract
2020
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Atomic Charge Calculator II: web-based tool for the calculation of partial atomic charges
Nucleic acids research, year: 2020, volume: 48, edition: W1, DOI
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SQE charge calculation and its applicability for proteins
Year: 2020, type: Conference abstract