AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules

JOURNAL OF CHEMINFORMATICS

Ionescu, CM; Sehnal, D; Falginella, FL; Pant, P; Pravda, L; Bouchal, T; Varekova, RS; Geidl, S; Koca, J, 2015: AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules. JOURNAL OF CHEMINFORMATICS 7, doi: 10.1186/s13321-015-0099-x

CEITEC autoři:

RNDr. David Sehnal, Ph.D.
Francesco Luca Falginella, Ph.D.
doc. RNDr. Radka Svobodová, Ph.D.