The DINAMelt Server - Help
Concentration plot: The mole fractions of each species are plotted as a function of temperature, with the melting temperature Tm(Conc) indicated.
Heat capacity plot: The ensemble heat capacity (Cp) is plotted as a function of temperature, with the melting temperature Tm(Cp) indicated. The detailed heat capacity plot also shows the contributions of each species to the ensemble heat capacity.
UV absoprbance plot: The ensemble absorbance is plotted as a function of temperature, with the melting temperature Tm(Ext2) indicated. The detailed absorbance plot also shows the contributions of each species to the ensemble absorbance.
Probability dot plots: A dot plot of the conditional probabilities of each base pair may be generated for any species at any temperature. Both the size and color of the dot at position (i, j) are determined by the probability of bases i and j pairing. (See the color chart.) Note that these probabilities are conditional on at least one base pair forming (i.e. on the sequence(s) being in the folded or hybridized state).
Tm(Conc): The point at which the concentration of double-stranded molecules of one-half of its maximum value defines the melting temperature Tm(Conc). Note that this value, by definition, depends on the choice of Tmin. If a significant fraction of the duplex molecules is already melted at Tmin, the value for Tm(Conc) will be inflated.
ΔG: The difference between the ensemble free energies at Tmin and Tmax is reported as ΔG.
ΔH: The ensemble enthalpy at each temperature is calculated as ΔG - T dΔG/dT. The difference between the enthalpy values at Tmin and Tmax is reported as ΔH.
ΔS: The ensemble entropy at each temperature is calculated as -dΔG/dT. The difference between the entropy values at Tmin and Tmax is reported as ΔS.
Tm(Cp): The local maximum of the heat capacity curve defines the melting temperature Tm(Cp). If the curve has multiple local maxima, the last value is taken as Tm(Cp).
Tm(Ext1): The inflection point of the absorbance curve defines the melting temperature Tm(Ext1).
Tm(Ext2): The point at which the ensemble absorbance is halfway between its minimum and maximum values defines the melting temperature Tm(Ext2). Note that, like Tm(Conc), Tm(Ext2) depends on the temperature range specified.
Free energy: The free energy of the ensemble is calculated at each temperature. The contributions of each species to the ensemble free energy are also computed.
Enthalpy: The enthalpy of the ensemble is calculated as ΔG - T dΔG/dT at each temperature. The contributions of each species to the ensemble enthalpy are also computed. The difference between the first and last values of the ensemble enthalpy is reported as ΔH.
Entropy: The entropy of the ensemble is calculated as -dΔG/dT at each temperature. The contributions of each species to the ensemble entropy are also computed. The difference between the first and last values of the ensemble entropy is reported as ΔS.