Thermott: A comprehensive online tool for protein–ligand binding constant determination
Marius Gedgaudas, Denis Baronas, Egidijus Kazlauskas, Vytautas Petrauskas, Daumantas Matulis
Topics & Concepts
Constant (computer programming)Binding constantComputational biologyDrug discoveryChemistryLigand (biochemistry)Computer scienceCombinatorial chemistryData scienceBinding siteBiochemistryBiologyReceptorProgramming languageComputational Drug Discovery Methodsthermodynamics and calorimetric analysesPharmacogenetics and Drug Metabolism