AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules
10.1186/s13321-015-0099-x
Crossref journal-article
Springer Science and Business Media LLC
Journal of Cheminformatics (297)
Bibliography

Ionescu, C.-M., Sehnal, D., Falginella, F. L., Pant, P., Pravda, L., Bouchal, T., Svobodová Vařeková, R., Geidl, S., & Koča, J. (2015). AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules. Journal of Cheminformatics, 7(1).

Authors 9
  1. Crina-Maria Ionescu (first)
  2. David Sehnal (additional)
  3. Francesco L. Falginella (additional)
  4. Purbaj Pant (additional)
  5. Lukáš Pravda (additional)
  6. Tomáš Bouchal (additional)
  7. Radka Svobodová Vařeková (additional)
  8. Stanislav Geidl (additional)
  9. Jaroslav Koča (additional)
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Dates
Type When
Created 9 years, 10 months ago (Oct. 22, 2015, 9:34 a.m.)
Deposited 5 years, 11 months ago (Sept. 22, 2019, 12:42 a.m.)
Indexed 1 month ago (July 28, 2025, 2:37 a.m.)
Issued 9 years, 10 months ago (Oct. 22, 2015)
Published 9 years, 10 months ago (Oct. 22, 2015)
Published Online 9 years, 10 months ago (Oct. 22, 2015)
Published Print 9 years, 9 months ago (Dec. 1, 2015)
Funders 3
  1. Grant Agency of the Czech Republic
    Awards1
    1. 13-25401S
  2. Seventh Framework Programme 10.13039/501100004963

    Region: Europe

    gov (National government)

    Labels5
    1. EC Seventh Framework Programme
    2. European Commission Seventh Framework Programme
    3. EU Seventh Framework Programme
    4. European Union Seventh Framework Programme
    5. FP7
    Awards1
    1. CZ.1.05/1.1.00/02.0068
  3. European Social Fund 10.13039/501100004895 European Social Fund Plus

    Region: Europe

    gov (National government)

    Labels58
    1. Европейският социален фонд
    2. Evropský sociální fond
    3. Den Europæiske Socialfond
    4. Europäischer Sozialfonds
    5. Euroopa Sotsiaalfond
    6. Ευρωπαϊκό Κοινωνικό Ταμείο
    7. Fondo Social Europeo
    8. Fonds social européen
    9. Europski socijalni fond
    10. Fondo sociale europeO
    11. Eiropas Sociālais fonds
    12. Europos socialinis fondas
    13. Európai Szociális Alap
    14. Fond Soċjali Ewropew
    15. Europees Sociaal FondS
    16. Europejski Fundusz Społeczny
    17. Fundo Social Europeu
    18. Fondul Social European
    19. Európsky sociálny fond
    20. Evropski socialni sklad
    21. Euroopan sosiaalirahasto
    22. Europeiska socialfonden
    23. European Social Fund
    24. Fondo Social Europeo Plus
    25. Европейски социален фонд плюс
    26. Evropský sociální fond plus
    27. Europæiske Socialfond Plus
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    29. Euroopa Sotsiaalfond+
    30. Ευρωπαϊκό Κοινωνικό Ταμείο+
    31. Fonds social européen+
    32. Europski socijalni fond plus
    33. Fondo sociale europeo Plus
    34. Eiropas Sociālais fonds Plus
    35. Europos socialinis fondas +
    36. Európai Szociális Alap Plusz
    37. Europees Sociaal Fonds Plus
    38. Europejski Fundusz Społeczny Plus
    39. Fundo Social Europeu Mais
    40. Fondul social european Plus
    41. Európsky sociálny fond +
    42. Evropski socialni sklad +
    43. Euroopan sosiaalirahasto plus
    44. Europeiska socialfonden+
    45. ESF
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    52. ESR
    53. ESF+
    54. ESZA+
    55. EFS+
    56. FSE+
    57. ESS+
    58. ESR+
    Awards1
    1. CZ.1.07/2.3.00/30.0009

@article{Ionescu_2015, title={AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules}, volume={7}, ISSN={1758-2946}, url={http://dx.doi.org/10.1186/s13321-015-0099-x}, DOI={10.1186/s13321-015-0099-x}, number={1}, journal={Journal of Cheminformatics}, publisher={Springer Science and Business Media LLC}, author={Ionescu, Crina-Maria and Sehnal, David and Falginella, Francesco L. and Pant, Purbaj and Pravda, Lukáš and Bouchal, Tomáš and Svobodová Vařeková, Radka and Geidl, Stanislav and Koča, Jaroslav}, year={2015}, month=oct }