Erik Lindahl

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Phase Transitions Explained • Systems wants to stay at lowest F • ICE: Low E, low low S • Water: Higher E, higher S • When temperature is low, first term (E) dominates F=E-TS • When temperature is high, second term (TS) dominates F=E-TS Much more on this later!
Thermodynamic T • Minor perturbations: • F->F+dF = F + dE - TdS - SdT • At equilibrium under constant V & T, this leads to: dF=dE-TdS=0 • or: T = dE/dS (similarly T=dH/dS) • This is the thermodynamic definition of temperature!
Page 1: Protein Physics 2012 Lecture 2, Jan
Page 6 and 7: Natural amino acids
Page 9 and 10: α R β α L
Page 11 and 12: Outline today • More on interacti
Page 13 and 14: Semi-Empiric Modeling • Use simpl
Page 15 and 16: Bond stretching • Vibration aroun
Page 17 and 18: Torsions/dihedrals Frequently calle
Page 19 and 20: Nonbonded interactions Packing effe
Page 21 and 22: Lennard-Jones • Simpler form than
Page 23 and 24: Hydrophobic effect
Page 25: The Boltzmann Distribution ⇢ / e
Page 28 and 29: Formulating Boltzmann • Clapeyron
Page 30 and 31: Which shape is best energy-wise? Vo
Page 32 and 33: Free Energy • Use V=exp{ln(V)}
Page 34 and 35: How many states does this correspon
Page 38 and 39: Partitioning • Consider transfer

Erik Lindahl

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